%%bash
export LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:/home/preps/golovin/progs/lib
export PATH=${PATH}:/home/preps/golovin/progs/bin
pdb2gmx -f amilase.pdb -o ami.pdb -p -ignh -ff gromos
#pdb2gmx -f camelid.pdb -o cam.pdb -p -ignh -ff gromos13

                         :-)  G  R  O  M  A  C  S  (-:

                God Rules Over Mankind, Animals, Cosmos and Such

                            :-)  VERSION 4.5.5  (-:

        Written by Emile Apol, Rossen Apostolov, Herman J.C. Berendsen,
      Aldert van Buuren, Pär Bjelkmar, Rudi van Drunen, Anton Feenstra, 
        Gerrit Groenhof, Peter Kasson, Per Larsson, Pieter Meulenhoff, 
           Teemu Murtola, Szilard Pall, Sander Pronk, Roland Schulz, 
                Michael Shirts, Alfons Sijbers, Peter Tieleman,

               Berk Hess, David van der Spoel, and Erik Lindahl.

       Copyright (c) 1991-2000, University of Groningen, The Netherlands.
            Copyright (c) 2001-2010, The GROMACS development team at
        Uppsala University & The Royal Institute of Technology, Sweden.
            check out http://www.gromacs.org for more information.

         This program is free software; you can redistribute it and/or
          modify it under the terms of the GNU General Public License
         as published by the Free Software Foundation; either version 2
             of the License, or (at your option) any later version.

                               :-)  pdb2gmx  (-:

Option     Filename  Type         Description
------------------------------------------------------------
  -f    amilase.pdb  Input        Structure file: gro g96 pdb tpr etc.
  -o        ami.pdb  Output       Structure file: gro g96 pdb etc.
  -p         13.top  Output       Topology file
  -i      posre.itp  Output       Include file for topology
  -n      clean.ndx  Output, Opt. Index file
  -q      clean.pdb  Output, Opt. Structure file: gro g96 pdb etc.

Option       Type   Value   Description
------------------------------------------------------
-[no]h       bool   no      Print help info and quit
-[no]version bool   no      Print version info and quit
-nice        int    0       Set the nicelevel
-chainsep    enum   id_or_ter  Condition in PDB files when a new chain should
                            be started (adding termini): id_or_ter,
                            id_and_ter, ter, id or interactive
-merge       enum   no      Merge multiple chains into a single
                            [moleculetype]: no, all or interactive
-ff          string gromos  Force field, interactive by default. Use -h for
                            information.
-water       enum   select  Water model to use: select, none, spc, spce,
                            tip3p, tip4p or tip5p
-[no]inter   bool   no      Set the next 8 options to interactive
-[no]ss      bool   no      Interactive SS bridge selection
-[no]ter     bool   no      Interactive termini selection, instead of charged
                            (default)
-[no]lys     bool   no      Interactive lysine selection, instead of charged
-[no]arg     bool   no      Interactive arginine selection, instead of charged
-[no]asp     bool   no      Interactive aspartic acid selection, instead of
                            charged
-[no]glu     bool   no      Interactive glutamic acid selection, instead of
                            charged
-[no]gln     bool   no      Interactive glutamine selection, instead of
                            neutral
-[no]his     bool   no      Interactive histidine selection, instead of
                            checking H-bonds
-angle       real   135     Minimum hydrogen-donor-acceptor angle for a
                            H-bond (degrees)
-dist        real   0.3     Maximum donor-acceptor distance for a H-bond (nm)
-[no]una     bool   no      Select aromatic rings with united CH atoms on
                            phenylalanine, tryptophane and tyrosine
-[no]ignh    bool   yes     Ignore hydrogen atoms that are in the coordinate
                            file
-[no]missing bool   no      Continue when atoms are missing, dangerous
-[no]v       bool   no      Be slightly more verbose in messages
-posrefc     real   1000    Force constant for position restraints
-vsite       enum   none    Convert atoms to virtual sites: none, hydrogens
                            or aromatics
-[no]heavyh  bool   no      Make hydrogen atoms heavy
-[no]deuterate bool no      Change the mass of hydrogens to 2 amu
-[no]chargegrp bool yes     Use charge groups in the .rtp file
-[no]cmap    bool   yes     Use cmap torsions (if enabled in the .rtp file)
-[no]renum   bool   no      Renumber the residues consecutively in the output
-[no]rtpres  bool   no      Use .rtp entry names as residue names


-------------------------------------------------------
Program pdb2gmx, VERSION 4.5.5
Source code file: /tmp/build/gromacs-4.5.5/src/kernel/pdb2top.c, line: 239

Fatal error:
Could not find force field 'gromos' in current directory, install tree or GMXDATA path.
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------

"As Always Your Logic Is Impeccable" (Tuvok)

%%bash
export LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:/home/preps/golovin/progs/lib
export PATH=${PATH}:/home/preps/golovin/progs/bin
mark_sur ami.pdb ami_m.pdb

    1 TYR  N   unknown type.  rad set to 1.9, chg 0
    2 TYR   H1 unknown type.  rad set to 1.9, chg 0
    3 TYR   H2 unknown type.  rad set to 1.9, chg 0
    4 TYR   H3 unknown type.  rad set to 1.9, chg 0
    9 TYR   HD1unknown type.  rad set to 1.9, chg 0
   11 TYR   HD2unknown type.  rad set to 1.9, chg 0
   13 TYR   HE1unknown type.  rad set to 1.9, chg 0
   15 TYR   HE2unknown type.  rad set to 1.9, chg 0
   18 TYR   HH unknown type.  rad set to 1.9, chg 0
   19 TYR  C   unknown type.  rad set to 1.9, chg 0
   20 TYR  O   unknown type.  rad set to 1.9, chg 0
   21 ALA  N   unknown type.  rad set to 1.9, chg 0
   22 ALA   H  unknown type.  rad set to 1.9, chg 0
   25 ALA  C   unknown type.  rad set to 1.9, chg 0
   26 ALA  O   unknown type.  rad set to 1.9, chg 0
   27 PRO  N   unknown type.  rad set to 1.9, chg 0
   32 PRO  C   unknown type.  rad set to 1.9, chg 0
   33 PRO  O   unknown type.  rad set to 1.9, chg 0
   34 GLN  N   unknown type.  rad set to 1.9, chg 0
   35 GLN   H  unknown type.  rad set to 1.9, chg 0
   42 GLN  1HE2unknown type.  rad set to 1.9, chg 0
   43 GLN  2HE2unknown type.  rad set to 1.9, chg 0
   44 GLN  C   unknown type.  rad set to 1.9, chg 0
   45 GLN  O   unknown type.  rad set to 1.9, chg 0
   46 THR  N   unknown type.  rad set to 1.9, chg 0
   47 THR   H  unknown type.  rad set to 1.9, chg 0
   51 THR   HG1unknown type.  rad set to 1.9, chg 0
   53 THR  C   unknown type.  rad set to 1.9, chg 0
   54 THR  O   unknown type.  rad set to 1.9, chg 0
   55 GLN  N   unknown type.  rad set to 1.9, chg 0
   56 GLN   H  unknown type.  rad set to 1.9, chg 0
   63 GLN  1HE2unknown type.  rad set to 1.9, chg 0
   64 GLN  2HE2unknown type.  rad set to 1.9, chg 0
   65 GLN  C   unknown type.  rad set to 1.9, chg 0
   66 GLN  O   unknown type.  rad set to 1.9, chg 0
   67 SER  N   unknown type.  rad set to 1.9, chg 0
   68 SER   H  unknown type.  rad set to 1.9, chg 0
   72 SER   HG unknown type.  rad set to 1.9, chg 0
   73 SER  C   unknown type.  rad set to 1.9, chg 0
   74 SER  O   unknown type.  rad set to 1.9, chg 0
   75 GLY  N   unknown type.  rad set to 1.9, chg 0
   76 GLY   H  unknown type.  rad set to 1.9, chg 0
   78 GLY  C   unknown type.  rad set to 1.9, chg 0
   79 GLY  O   unknown type.  rad set to 1.9, chg 0
   80 ARG  N   unknown type.  rad set to 1.9, chg 0
   81 ARG   H  unknown type.  rad set to 1.9, chg 0
   87 ARG   HE unknown type.  rad set to 1.9, chg 0
   90 ARG  1HH1unknown type.  rad set to 1.9, chg 0
   91 ARG  2HH1unknown type.  rad set to 1.9, chg 0
   93 ARG  1HH2unknown type.  rad set to 1.9, chg 0
   94 ARG  2HH2unknown type.  rad set to 1.9, chg 0
   95 ARG  C   unknown type.  rad set to 1.9, chg 0
   96 ARG  O   unknown type.  rad set to 1.9, chg 0
   97 THR  N   unknown type.  rad set to 1.9, chg 0
   98 THR   H  unknown type.  rad set to 1.9, chg 0
  102 THR   HG1unknown type.  rad set to 1.9, chg 0
  104 THR  C   unknown type.  rad set to 1.9, chg 0
  105 THR  O   unknown type.  rad set to 1.9, chg 0
  106 SER  N   unknown type.  rad set to 1.9, chg 0
  107 SER   H  unknown type.  rad set to 1.9, chg 0
  111 SER   HG unknown type.  rad set to 1.9, chg 0
  112 SER  C   unknown type.  rad set to 1.9, chg 0
  113 SER  O   unknown type.  rad set to 1.9, chg 0
  114 ILE  N   unknown type.  rad set to 1.9, chg 0
  115 ILE   H  unknown type.  rad set to 1.9, chg 0
  120 ILE   CD unknown type.  rad set to 1.9, chg 0
  121 ILE  C   unknown type.  rad set to 1.9, chg 0
  122 ILE  O   unknown type.  rad set to 1.9, chg 0
  123 VAL  N   unknown type.  rad set to 1.9, chg 0
  124 VAL   H  unknown type.  rad set to 1.9, chg 0
  129 VAL  C   unknown type.  rad set to 1.9, chg 0
  130 VAL  O   unknown type.  rad set to 1.9, chg 0
  131 HIS  N   unknown type.  rad set to 1.9, chg 0
  132 HIS   H  unknown type.  rad set to 1.9, chg 0
  138 HIS   HD2unknown type.  rad set to 1.9, chg 0
  140 HIS   HE1unknown type.  rad set to 1.9, chg 0
  142 HIS   HE2unknown type.  rad set to 1.9, chg 0
  143 HIS  C   unknown type.  rad set to 1.9, chg 0
  144 HIS  O   unknown type.  rad set to 1.9, chg 0
  145 LEU  N   unknown type.  rad set to 1.9, chg 0
  146 LEU   H  unknown type.  rad set to 1.9, chg 0
  152 LEU  C   unknown type.  rad set to 1.9, chg 0
  153 LEU  O   unknown type.  rad set to 1.9, chg 0
  154 PHE  N   unknown type.  rad set to 1.9, chg 0
  155 PHE   H  unknown type.  rad set to 1.9, chg 0
  160 PHE   HD1unknown type.  rad set to 1.9, chg 0
  162 PHE   HD2unknown type.  rad set to 1.9, chg 0
  164 PHE   HE1unknown type.  rad set to 1.9, chg 0
  166 PHE   HE2unknown type.  rad set to 1.9, chg 0
  168 PHE   HZ unknown type.  rad set to 1.9, chg 0
  169 PHE  C   unknown type.  rad set to 1.9, chg 0
  170 PHE  O   unknown type.  rad set to 1.9, chg 0
  171 GLU  N   unknown type.  rad set to 1.9, chg 0
  172 GLU   H  unknown type.  rad set to 1.9, chg 0
  179 GLU  C   unknown type.  rad set to 1.9, chg 0
  180 GLU  O   unknown type.  rad set to 1.9, chg 0
  181 TRP  N   unknown type.  rad set to 1.9, chg 0
  182 TRP   H  unknown type.  rad set to 1.9, chg 0
  187 TRP   HD1unknown type.  rad set to 1.9, chg 0
  190 TRP   HE1unknown type.  rad set to 1.9, chg 0
  193 TRP   HE3unknown type.  rad set to 1.9, chg 0
  195 TRP   HZ2unknown type.  rad set to 1.9, chg 0
  197 TRP   HZ3unknown type.  rad set to 1.9, chg 0
  199 TRP   HH2unknown type.  rad set to 1.9, chg 0
  200 TRP  C   unknown type.  rad set to 1.9, chg 0
  201 TRP  O   unknown type.  rad set to 1.9, chg 0
  202 ARG  N   unknown type.  rad set to 1.9, chg 0
  203 ARG   H  unknown type.  rad set to 1.9, chg 0
  209 ARG   HE unknown type.  rad set to 1.9, chg 0
  212 ARG  1HH1unknown type.  rad set to 1.9, chg 0
  213 ARG  2HH1unknown type.  rad set to 1.9, chg 0
  215 ARG  1HH2unknown type.  rad set to 1.9, chg 0
  216 ARG  2HH2unknown type.  rad set to 1.9, chg 0
  217 ARG  C   unknown type.  rad set to 1.9, chg 0
  218 ARG  O   unknown type.  rad set to 1.9, chg 0
  219 TRP  N   unknown type.  rad set to 1.9, chg 0
  220 TRP   H  unknown type.  rad set to 1.9, chg 0
  225 TRP   HD1unknown type.  rad set to 1.9, chg 0
  228 TRP   HE1unknown type.  rad set to 1.9, chg 0
  231 TRP   HE3unknown type.  rad set to 1.9, chg 0
  233 TRP   HZ2unknown type.  rad set to 1.9, chg 0
  235 TRP   HZ3unknown type.  rad set to 1.9, chg 0
  237 TRP   HH2unknown type.  rad set to 1.9, chg 0
  238 TRP  C   unknown type.  rad set to 1.9, chg 0
  239 TRP  O   unknown type.  rad set to 1.9, chg 0
  240 VAL  N   unknown type.  rad set to 1.9, chg 0
  241 VAL   H  unknown type.  rad set to 1.9, chg 0
  246 VAL  C   unknown type.  rad set to 1.9, chg 0
  247 VAL  O   unknown type.  rad set to 1.9, chg 0
  248 ASP  N   unknown type.  rad set to 1.9, chg 0
  249 ASP   H  unknown type.  rad set to 1.9, chg 0
  255 ASP  C   unknown type.  rad set to 1.9, chg 0
  256 ASP  O   unknown type.  rad set to 1.9, chg 0
  257 ILE  N   unknown type.  rad set to 1.9, chg 0
  258 ILE   H  unknown type.  rad set to 1.9, chg 0
  263 ILE   CD unknown type.  rad set to 1.9, chg 0
  264 ILE  C   unknown type.  rad set to 1.9, chg 0
  265 ILE  O   unknown type.  rad set to 1.9, chg 0
  266 ALA  N   unknown type.  rad set to 1.9, chg 0
  267 ALA   H  unknown type.  rad set to 1.9, chg 0
  270 ALA  C   unknown type.  rad set to 1.9, chg 0
  271 ALA  O   unknown type.  rad set to 1.9, chg 0
  272 LEU  N   unknown type.  rad set to 1.9, chg 0
  273 LEU   H  unknown type.  rad set to 1.9, chg 0
  279 LEU  C   unknown type.  rad set to 1.9, chg 0
  280 LEU  O   unknown type.  rad set to 1.9, chg 0
  281 GLU  N   unknown type.  rad set to 1.9, chg 0
  282 GLU   H  unknown type.  rad set to 1.9, chg 0
  289 GLU  C   unknown type.  rad set to 1.9, chg 0
  290 GLU  O   unknown type.  rad set to 1.9, chg 0
  291 CYS  N   unknown type.  rad set to 1.9, chg 0
  292 CYS   H  unknown type.  rad set to 1.9, chg 0
  296 CYS  C   unknown type.  rad set to 1.9, chg 0
  297 CYS  O   unknown type.  rad set to 1.9, chg 0
  298 GLU  N   unknown type.  rad set to 1.9, chg 0
  299 GLU   H  unknown type.  rad set to 1.9, chg 0
  306 GLU  C   unknown type.  rad set to 1.9, chg 0
  307 GLU  O   unknown type.  rad set to 1.9, chg 0
  308 ARG  N   unknown type.  rad set to 1.9, chg 0
  309 ARG   H  unknown type.  rad set to 1.9, chg 0
  315 ARG   HE unknown type.  rad set to 1.9, chg 0
  318 ARG  1HH1unknown type.  rad set to 1.9, chg 0
  319 ARG  2HH1unknown type.  rad set to 1.9, chg 0
  321 ARG  1HH2unknown type.  rad set to 1.9, chg 0
  322 ARG  2HH2unknown type.  rad set to 1.9, chg 0
  323 ARG  C   unknown type.  rad set to 1.9, chg 0
  324 ARG  O   unknown type.  rad set to 1.9, chg 0
  325 TYR  N   unknown type.  rad set to 1.9, chg 0
  326 TYR   H  unknown type.  rad set to 1.9, chg 0
  331 TYR   HD1unknown type.  rad set to 1.9, chg 0
  333 TYR   HD2unknown type.  rad set to 1.9, chg 0
  335 TYR   HE1unknown type.  rad set to 1.9, chg 0
  337 TYR   HE2unknown type.  rad set to 1.9, chg 0
  340 TYR   HH unknown type.  rad set to 1.9, chg 0
  341 TYR  C   unknown type.  rad set to 1.9, chg 0
  342 TYR  O   unknown type.  rad set to 1.9, chg 0
  343 LEU  N   unknown type.  rad set to 1.9, chg 0
  344 LEU   H  unknown type.  rad set to 1.9, chg 0
  350 LEU  C   unknown type.  rad set to 1.9, chg 0
  351 LEU  O   unknown type.  rad set to 1.9, chg 0
  352 GLY  N   unknown type.  rad set to 1.9, chg 0
  353 GLY   H  unknown type.  rad set to 1.9, chg 0
  355 GLY  C   unknown type.  rad set to 1.9, chg 0
  356 GLY  O   unknown type.  rad set to 1.9, chg 0
  357 PRO  N   unknown type.  rad set to 1.9, chg 0
  362 PRO  C   unknown type.  rad set to 1.9, chg 0
  363 PRO  O   unknown type.  rad set to 1.9, chg 0
  364 LYS  N   unknown type.  rad set to 1.9, chg 0
  365 LYS   H  unknown type.  rad set to 1.9, chg 0
  372 LYS   HZ1unknown type.  rad set to 1.9, chg 0
  373 LYS   HZ2unknown type.  rad set to 1.9, chg 0
  374 LYS   HZ3unknown type.  rad set to 1.9, chg 0
  375 LYS  C   unknown type.  rad set to 1.9, chg 0
  376 LYS  O   unknown type.  rad set to 1.9, chg 0
  377 GLY  N   unknown type.  rad set to 1.9, chg 0
  378 GLY   H  unknown type.  rad set to 1.9, chg 0
  380 GLY  C   unknown type.  rad set to 1.9, chg 0
  381 GLY  O   unknown type.  rad set to 1.9, chg 0
  382 PHE  N   unknown type.  rad set to 1.9, chg 0
  383 PHE   H  unknown type.  rad set to 1.9, chg 0
  388 PHE   HD1unknown type.  rad set to 1.9, chg 0
  390 PHE   HD2unknown type.  rad set to 1.9, chg 0
  392 PHE   HE1unknown type.  rad set to 1.9, chg 0
  394 PHE   HE2unknown type.  rad set to 1.9, chg 0
  396 PHE   HZ unknown type.  rad set to 1.9, chg 0
  397 PHE  C   unknown type.  rad set to 1.9, chg 0
  398 PHE  O   unknown type.  rad set to 1.9, chg 0
  399 GLY  N   unknown type.  rad set to 1.9, chg 0
  400 GLY   H  unknown type.  rad set to 1.9, chg 0
  402 GLY  C   unknown type.  rad set to 1.9, chg 0
  403 GLY  O   unknown type.  rad set to 1.9, chg 0
  404 GLY  N   unknown type.  rad set to 1.9, chg 0
  405 GLY   H  unknown type.  rad set to 1.9, chg 0
  407 GLY  C   unknown type.  rad set to 1.9, chg 0
  408 GLY  O   unknown type.  rad set to 1.9, chg 0
  409 VAL  N   unknown type.  rad set to 1.9, chg 0
  410 VAL   H  unknown type.  rad set to 1.9, chg 0
  415 VAL  C   unknown type.  rad set to 1.9, chg 0
  416 VAL  O   unknown type.  rad set to 1.9, chg 0
  417 GLN  N   unknown type.  rad set to 1.9, chg 0
  418 GLN   H  unknown type.  rad set to 1.9, chg 0
  425 GLN  1HE2unknown type.  rad set to 1.9, chg 0
  426 GLN  2HE2unknown type.  rad set to 1.9, chg 0
  427 GLN  C   unknown type.  rad set to 1.9, chg 0
  428 GLN  O   unknown type.  rad set to 1.9, chg 0
  429 VAL  N   unknown type.  rad set to 1.9, chg 0
  430 VAL   H  unknown type.  rad set to 1.9, chg 0
  435 VAL  C   unknown type.  rad set to 1.9, chg 0
  436 VAL  O   unknown type.  rad set to 1.9, chg 0
  437 SER  N   unknown type.  rad set to 1.9, chg 0
  438 SER   H  unknown type.  rad set to 1.9, chg 0
  442 SER   HG unknown type.  rad set to 1.9, chg 0
  443 SER  C   unknown type.  rad set to 1.9, chg 0
  444 SER  O   unknown type.  rad set to 1.9, chg 0
  445 PRO  N   unknown type.  rad set to 1.9, chg 0
  450 PRO  C   unknown type.  rad set to 1.9, chg 0
  451 PRO  O   unknown type.  rad set to 1.9, chg 0
  452 PRO  N   unknown type.  rad set to 1.9, chg 0
  457 PRO  C   unknown type.  rad set to 1.9, chg 0
  458 PRO  O   unknown type.  rad set to 1.9, chg 0
  459 ASN  N   unknown type.  rad set to 1.9, chg 0
  460 ASN   H  unknown type.  rad set to 1.9, chg 0
  466 ASN  1HD2unknown type.  rad set to 1.9, chg 0
  467 ASN  2HD2unknown type.  rad set to 1.9, chg 0
  468 ASN  C   unknown type.  rad set to 1.9, chg 0
  469 ASN  O   unknown type.  rad set to 1.9, chg 0
  470 GLU  N   unknown type.  rad set to 1.9, chg 0
  471 GLU   H  unknown type.  rad set to 1.9, chg 0
  478 GLU  C   unknown type.  rad set to 1.9, chg 0
  479 GLU  O   unknown type.  rad set to 1.9, chg 0
  480 ASN  N   unknown type.  rad set to 1.9, chg 0
  481 ASN   H  unknown type.  rad set to 1.9, chg 0
  487 ASN  1HD2unknown type.  rad set to 1.9, chg 0
  488 ASN  2HD2unknown type.  rad set to 1.9, chg 0
  489 ASN  C   unknown type.  rad set to 1.9, chg 0
  490 ASN  O   unknown type.  rad set to 1.9, chg 0
  491 VAL  N   unknown type.  rad set to 1.9, chg 0
  492 VAL   H  unknown type.  rad set to 1.9, chg 0
  497 VAL  C   unknown type.  rad set to 1.9, chg 0
  498 VAL  O   unknown type.  rad set to 1.9, chg 0
  499 VAL  N   unknown type.  rad set to 1.9, chg 0
  500 VAL   H  unknown type.  rad set to 1.9, chg 0
  505 VAL  C   unknown type.  rad set to 1.9, chg 0
  506 VAL  O   unknown type.  rad set to 1.9, chg 0
  507 VAL  N   unknown type.  rad set to 1.9, chg 0
  508 VAL   H  unknown type.  rad set to 1.9, chg 0
  513 VAL  C   unknown type.  rad set to 1.9, chg 0
  514 VAL  O   unknown type.  rad set to 1.9, chg 0
  515 THR  N   unknown type.  rad set to 1.9, chg 0
  516 THR   H  unknown type.  rad set to 1.9, chg 0
  520 THR   HG1unknown type.  rad set to 1.9, chg 0
  522 THR  C   unknown type.  rad set to 1.9, chg 0
  523 THR  O   unknown type.  rad set to 1.9, chg 0
  524 ASN  N   unknown type.  rad set to 1.9, chg 0
  525 ASN   H  unknown type.  rad set to 1.9, chg 0
  531 ASN  1HD2unknown type.  rad set to 1.9, chg 0
  532 ASN  2HD2unknown type.  rad set to 1.9, chg 0
  533 ASN  C   unknown type.  rad set to 1.9, chg 0
  534 ASN  O   unknown type.  rad set to 1.9, chg 0
  535 PRO  N   unknown type.  rad set to 1.9, chg 0
  540 PRO  C   unknown type.  rad set to 1.9, chg 0
  541 PRO  O   unknown type.  rad set to 1.9, chg 0
  542 SER  N   unknown type.  rad set to 1.9, chg 0
  543 SER   H  unknown type.  rad set to 1.9, chg 0
  547 SER   HG unknown type.  rad set to 1.9, chg 0
  548 SER  C   unknown type.  rad set to 1.9, chg 0
  549 SER  O   unknown type.  rad set to 1.9, chg 0
  550 ARG  N   unknown type.  rad set to 1.9, chg 0
  551 ARG   H  unknown type.  rad set to 1.9, chg 0
  557 ARG   HE unknown type.  rad set to 1.9, chg 0
  560 ARG  1HH1unknown type.  rad set to 1.9, chg 0
  561 ARG  2HH1unknown type.  rad set to 1.9, chg 0
  563 ARG  1HH2unknown type.  rad set to 1.9, chg 0
  564 ARG  2HH2unknown type.  rad set to 1.9, chg 0
  565 ARG  C   unknown type.  rad set to 1.9, chg 0
  566 ARG  O   unknown type.  rad set to 1.9, chg 0
  567 PRO  N   unknown type.  rad set to 1.9, chg 0
  572 PRO  C   unknown type.  rad set to 1.9, chg 0
  573 PRO  O   unknown type.  rad set to 1.9, chg 0
  574 TRP  N   unknown type.  rad set to 1.9, chg 0
  575 TRP   H  unknown type.  rad set to 1.9, chg 0
  580 TRP   HD1unknown type.  rad set to 1.9, chg 0
  583 TRP   HE1unknown type.  rad set to 1.9, chg 0
  586 TRP   HE3unknown type.  rad set to 1.9, chg 0
  588 TRP   HZ2unknown type.  rad set to 1.9, chg 0
  590 TRP   HZ3unknown type.  rad set to 1.9, chg 0
  592 TRP   HH2unknown type.  rad set to 1.9, chg 0
  593 TRP  C   unknown type.  rad set to 1.9, chg 0
  594 TRP  O   unknown type.  rad set to 1.9, chg 0
  595 TRP  N   unknown type.  rad set to 1.9, chg 0
  596 TRP   H  unknown type.  rad set to 1.9, chg 0
  601 TRP   HD1unknown type.  rad set to 1.9, chg 0
  604 TRP   HE1unknown type.  rad set to 1.9, chg 0
  607 TRP   HE3unknown type.  rad set to 1.9, chg 0
  609 TRP   HZ2unknown type.  rad set to 1.9, chg 0
  611 TRP   HZ3unknown type.  rad set to 1.9, chg 0
  613 TRP   HH2unknown type.  rad set to 1.9, chg 0
  614 TRP  C   unknown type.  rad set to 1.9, chg 0
  615 TRP  O   unknown type.  rad set to 1.9, chg 0
  616 GLU  N   unknown type.  rad set to 1.9, chg 0
  617 GLU   H  unknown type.  rad set to 1.9, chg 0
  624 GLU  C   unknown type.  rad set to 1.9, chg 0
  625 GLU  O   unknown type.  rad set to 1.9, chg 0
  626 ARG  N   unknown type.  rad set to 1.9, chg 0
  627 ARG   H  unknown type.  rad set to 1.9, chg 0
  633 ARG   HE unknown type.  rad set to 1.9, chg 0
  636 ARG  1HH1unknown type.  rad set to 1.9, chg 0
  637 ARG  2HH1unknown type.  rad set to 1.9, chg 0
  639 ARG  1HH2unknown type.  rad set to 1.9, chg 0
  640 ARG  2HH2unknown type.  rad set to 1.9, chg 0
  641 ARG  C   unknown type.  rad set to 1.9, chg 0
  642 ARG  O   unknown type.  rad set to 1.9, chg 0
  643 TYR  N   unknown type.  rad set to 1.9, chg 0
  644 TYR   H  unknown type.  rad set to 1.9, chg 0
  649 TYR   HD1unknown type.  rad set to 1.9, chg 0
  651 TYR   HD2unknown type.  rad set to 1.9, chg 0
  653 TYR   HE1unknown type.  rad set to 1.9, chg 0
  655 TYR   HE2unknown type.  rad set to 1.9, chg 0
  658 TYR   HH unknown type.  rad set to 1.9, chg 0
  659 TYR  C   unknown type.  rad set to 1.9, chg 0
  660 TYR  O   unknown type.  rad set to 1.9, chg 0
  661 GLN  N   unknown type.  rad set to 1.9, chg 0
  662 GLN   H  unknown type.  rad set to 1.9, chg 0
  669 GLN  1HE2unknown type.  rad set to 1.9, chg 0
  670 GLN  2HE2unknown type.  rad set to 1.9, chg 0
  671 GLN  C   unknown type.  rad set to 1.9, chg 0
  672 GLN  O   unknown type.  rad set to 1.9, chg 0
  673 PRO  N   unknown type.  rad set to 1.9, chg 0
  678 PRO  C   unknown type.  rad set to 1.9, chg 0
  679 PRO  O   unknown type.  rad set to 1.9, chg 0
  680 VAL  N   unknown type.  rad set to 1.9, chg 0
  681 VAL   H  unknown type.  rad set to 1.9, chg 0
  686 VAL  C   unknown type.  rad set to 1.9, chg 0
  687 VAL  O   unknown type.  rad set to 1.9, chg 0
  688 SER  N   unknown type.  rad set to 1.9, chg 0
  689 SER   H  unknown type.  rad set to 1.9, chg 0
  693 SER   HG unknown type.  rad set to 1.9, chg 0
  694 SER  C   unknown type.  rad set to 1.9, chg 0
  695 SER  O   unknown type.  rad set to 1.9, chg 0
  696 TYR  N   unknown type.  rad set to 1.9, chg 0
  697 TYR   H  unknown type.  rad set to 1.9, chg 0
  702 TYR   HD1unknown type.  rad set to 1.9, chg 0
  704 TYR   HD2unknown type.  rad set to 1.9, chg 0
  706 TYR   HE1unknown type.  rad set to 1.9, chg 0
  708 TYR   HE2unknown type.  rad set to 1.9, chg 0
  711 TYR   HH unknown type.  rad set to 1.9, chg 0
  712 TYR  C   unknown type.  rad set to 1.9, chg 0
  713 TYR  O   unknown type.  rad set to 1.9, chg 0
  714 LYS  N   unknown type.  rad set to 1.9, chg 0
  715 LYS   H  unknown type.  rad set to 1.9, chg 0
  722 LYS   HZ1unknown type.  rad set to 1.9, chg 0
  723 LYS   HZ2unknown type.  rad set to 1.9, chg 0
  724 LYS   HZ3unknown type.  rad set to 1.9, chg 0
  725 LYS  C   unknown type.  rad set to 1.9, chg 0
  726 LYS  O   unknown type.  rad set to 1.9, chg 0
  727 LEU  N   unknown type.  rad set to 1.9, chg 0
  728 LEU   H  unknown type.  rad set to 1.9, chg 0
  734 LEU  C   unknown type.  rad set to 1.9, chg 0
  735 LEU  O   unknown type.  rad set to 1.9, chg 0
  736 CYS  N   unknown type.  rad set to 1.9, chg 0
  737 CYS   H  unknown type.  rad set to 1.9, chg 0
  741 CYS  C   unknown type.  rad set to 1.9, chg 0
  742 CYS  O   unknown type.  rad set to 1.9, chg 0
  743 THR  N   unknown type.  rad set to 1.9, chg 0
  744 THR   H  unknown type.  rad set to 1.9, chg 0
  748 THR   HG1unknown type.  rad set to 1.9, chg 0
  750 THR  C   unknown type.  rad set to 1.9, chg 0
  751 THR  O   unknown type.  rad set to 1.9, chg 0
  752 ARG  N   unknown type.  rad set to 1.9, chg 0
  753 ARG   H  unknown type.  rad set to 1.9, chg 0
  759 ARG   HE unknown type.  rad set to 1.9, chg 0
  762 ARG  1HH1unknown type.  rad set to 1.9, chg 0
  763 ARG  2HH1unknown type.  rad set to 1.9, chg 0
  765 ARG  1HH2unknown type.  rad set to 1.9, chg 0
  766 ARG  2HH2unknown type.  rad set to 1.9, chg 0
  767 ARG  C   unknown type.  rad set to 1.9, chg 0
  768 ARG  O   unknown type.  rad set to 1.9, chg 0
  769 SER  N   unknown type.  rad set to 1.9, chg 0
  770 SER   H  unknown type.  rad set to 1.9, chg 0
  774 SER   HG unknown type.  rad set to 1.9, chg 0
  775 SER  C   unknown type.  rad set to 1.9, chg 0
  776 SER  O   unknown type.  rad set to 1.9, chg 0
  777 GLY  N   unknown type.  rad set to 1.9, chg 0
  778 GLY   H  unknown type.  rad set to 1.9, chg 0
  780 GLY  C   unknown type.  rad set to 1.9, chg 0
  781 GLY  O   unknown type.  rad set to 1.9, chg 0
  782 ASN  N   unknown type.  rad set to 1.9, chg 0
  783 ASN   H  unknown type.  rad set to 1.9, chg 0
  789 ASN  1HD2unknown type.  rad set to 1.9, chg 0
  790 ASN  2HD2unknown type.  rad set to 1.9, chg 0
  791 ASN  C   unknown type.  rad set to 1.9, chg 0
  792 ASN  O   unknown type.  rad set to 1.9, chg 0
  793 GLU  N   unknown type.  rad set to 1.9, chg 0
  794 GLU   H  unknown type.  rad set to 1.9, chg 0
  801 GLU  C   unknown type.  rad set to 1.9, chg 0
  802 GLU  O   unknown type.  rad set to 1.9, chg 0
  803 ASN  N   unknown type.  rad set to 1.9, chg 0
  804 ASN   H  unknown type.  rad set to 1.9, chg 0
  810 ASN  1HD2unknown type.  rad set to 1.9, chg 0
  811 ASN  2HD2unknown type.  rad set to 1.9, chg 0
  812 ASN  C   unknown type.  rad set to 1.9, chg 0
  813 ASN  O   unknown type.  rad set to 1.9, chg 0
  814 GLU  N   unknown type.  rad set to 1.9, chg 0
  815 GLU   H  unknown type.  rad set to 1.9, chg 0
  822 GLU  C   unknown type.  rad set to 1.9, chg 0
  823 GLU  O   unknown type.  rad set to 1.9, chg 0
  824 PHE  N   unknown type.  rad set to 1.9, chg 0
  825 PHE   H  unknown type.  rad set to 1.9, chg 0
  830 PHE   HD1unknown type.  rad set to 1.9, chg 0
  832 PHE   HD2unknown type.  rad set to 1.9, chg 0
  834 PHE   HE1unknown type.  rad set to 1.9, chg 0
  836 PHE   HE2unknown type.  rad set to 1.9, chg 0
  838 PHE   HZ unknown type.  rad set to 1.9, chg 0
  839 PHE  C   unknown type.  rad set to 1.9, chg 0
  840 PHE  O   unknown type.  rad set to 1.9, chg 0
  841 ARG  N   unknown type.  rad set to 1.9, chg 0
  842 ARG   H  unknown type.  rad set to 1.9, chg 0
  848 ARG   HE unknown type.  rad set to 1.9, chg 0
  851 ARG  1HH1unknown type.  rad set to 1.9, chg 0
  852 ARG  2HH1unknown type.  rad set to 1.9, chg 0
  854 ARG  1HH2unknown type.  rad set to 1.9, chg 0
  855 ARG  2HH2unknown type.  rad set to 1.9, chg 0
  856 ARG  C   unknown type.  rad set to 1.9, chg 0
  857 ARG  O   unknown type.  rad set to 1.9, chg 0
  858 ASP  N   unknown type.  rad set to 1.9, chg 0
  859 ASP   H  unknown type.  rad set to 1.9, chg 0
  865 ASP  C   unknown type.  rad set to 1.9, chg 0
  866 ASP  O   unknown type.  rad set to 1.9, chg 0
  867 MET  N   unknown type.  rad set to 1.9, chg 0
  868 MET   H  unknown type.  rad set to 1.9, chg 0
  874 MET  C   unknown type.  rad set to 1.9, chg 0
  875 MET  O   unknown type.  rad set to 1.9, chg 0
  876 VAL  N   unknown type.  rad set to 1.9, chg 0
  877 VAL   H  unknown type.  rad set to 1.9, chg 0
  882 VAL  C   unknown type.  rad set to 1.9, chg 0
  883 VAL  O   unknown type.  rad set to 1.9, chg 0
  884 THR  N   unknown type.  rad set to 1.9, chg 0
  885 THR   H  unknown type.  rad set to 1.9, chg 0
  889 THR   HG1unknown type.  rad set to 1.9, chg 0
  891 THR  C   unknown type.  rad set to 1.9, chg 0
  892 THR  O   unknown type.  rad set to 1.9, chg 0
  893 ARG  N   unknown type.  rad set to 1.9, chg 0
  894 ARG   H  unknown type.  rad set to 1.9, chg 0
  900 ARG   HE unknown type.  rad set to 1.9, chg 0
  903 ARG  1HH1unknown type.  rad set to 1.9, chg 0
  904 ARG  2HH1unknown type.  rad set to 1.9, chg 0
  906 ARG  1HH2unknown type.  rad set to 1.9, chg 0
  907 ARG  2HH2unknown type.  rad set to 1.9, chg 0
  908 ARG  C   unknown type.  rad set to 1.9, chg 0
  909 ARG  O   unknown type.  rad set to 1.9, chg 0
  910 CYS  N   unknown type.  rad set to 1.9, chg 0
  911 CYS   H  unknown type.  rad set to 1.9, chg 0
  915 CYS  C   unknown type.  rad set to 1.9, chg 0
  916 CYS  O   unknown type.  rad set to 1.9, chg 0
  917 ASN  N   unknown type.  rad set to 1.9, chg 0
  918 ASN   H  unknown type.  rad set to 1.9, chg 0
  924 ASN  1HD2unknown type.  rad set to 1.9, chg 0
  925 ASN  2HD2unknown type.  rad set to 1.9, chg 0
  926 ASN  C   unknown type.  rad set to 1.9, chg 0
  927 ASN  O   unknown type.  rad set to 1.9, chg 0
  928 ASN  N   unknown type.  rad set to 1.9, chg 0
  929 ASN   H  unknown type.  rad set to 1.9, chg 0
  935 ASN  1HD2unknown type.  rad set to 1.9, chg 0
  936 ASN  2HD2unknown type.  rad set to 1.9, chg 0
  937 ASN  C   unknown type.  rad set to 1.9, chg 0
  938 ASN  O   unknown type.  rad set to 1.9, chg 0
  939 VAL  N   unknown type.  rad set to 1.9, chg 0
  940 VAL   H  unknown type.  rad set to 1.9, chg 0
  945 VAL  C   unknown type.  rad set to 1.9, chg 0
  946 VAL  O   unknown type.  rad set to 1.9, chg 0
  947 GLY  N   unknown type.  rad set to 1.9, chg 0
  948 GLY   H  unknown type.  rad set to 1.9, chg 0
  950 GLY  C   unknown type.  rad set to 1.9, chg 0
  951 GLY  O   unknown type.  rad set to 1.9, chg 0
  952 VAL  N   unknown type.  rad set to 1.9, chg 0
  953 VAL   H  unknown type.  rad set to 1.9, chg 0
  958 VAL  C   unknown type.  rad set to 1.9, chg 0
  959 VAL  O   unknown type.  rad set to 1.9, chg 0
  960 ARG  N   unknown type.  rad set to 1.9, chg 0
  961 ARG   H  unknown type.  rad set to 1.9, chg 0
  967 ARG   HE unknown type.  rad set to 1.9, chg 0
  970 ARG  1HH1unknown type.  rad set to 1.9, chg 0
  971 ARG  2HH1unknown type.  rad set to 1.9, chg 0
  973 ARG  1HH2unknown type.  rad set to 1.9, chg 0
  974 ARG  2HH2unknown type.  rad set to 1.9, chg 0
  975 ARG  C   unknown type.  rad set to 1.9, chg 0
  976 ARG  O   unknown type.  rad set to 1.9, chg 0
  977 ILE  N   unknown type.  rad set to 1.9, chg 0
  978 ILE   H  unknown type.  rad set to 1.9, chg 0
  983 ILE   CD unknown type.  rad set to 1.9, chg 0
  984 ILE  C   unknown type.  rad set to 1.9, chg 0
  985 ILE  O   unknown type.  rad set to 1.9, chg 0
  986 TYR  N   unknown type.  rad set to 1.9, chg 0
  987 TYR   H  unknown type.  rad set to 1.9, chg 0
  992 TYR   HD1unknown type.  rad set to 1.9, chg 0
  994 TYR   HD2unknown type.  rad set to 1.9, chg 0
  996 TYR   HE1unknown type.  rad set to 1.9, chg 0
  998 TYR   HE2unknown type.  rad set to 1.9, chg 0
 1001 TYR   HH unknown type.  rad set to 1.9, chg 0
 1002 TYR  C   unknown type.  rad set to 1.9, chg 0
 1003 TYR  O   unknown type.  rad set to 1.9, chg 0
 1004 VAL  N   unknown type.  rad set to 1.9, chg 0
 1005 VAL   H  unknown type.  rad set to 1.9, chg 0
 1010 VAL  C   unknown type.  rad set to 1.9, chg 0
 1011 VAL  O   unknown type.  rad set to 1.9, chg 0
 1012 ASP  N   unknown type.  rad set to 1.9, chg 0
 1013 ASP   H  unknown type.  rad set to 1.9, chg 0
 1019 ASP  C   unknown type.  rad set to 1.9, chg 0
 1020 ASP  O   unknown type.  rad set to 1.9, chg 0
 1021 ALA  N   unknown type.  rad set to 1.9, chg 0
 1022 ALA   H  unknown type.  rad set to 1.9, chg 0
 1025 ALA  C   unknown type.  rad set to 1.9, chg 0
 1026 ALA  O   unknown type.  rad set to 1.9, chg 0
 1027 VAL  N   unknown type.  rad set to 1.9, chg 0
 1028 VAL   H  unknown type.  rad set to 1.9, chg 0
 1033 VAL  C   unknown type.  rad set to 1.9, chg 0
 1034 VAL  O   unknown type.  rad set to 1.9, chg 0
 1035 ILE  N   unknown type.  rad set to 1.9, chg 0
 1036 ILE   H  unknown type.  rad set to 1.9, chg 0
 1041 ILE   CD unknown type.  rad set to 1.9, chg 0
 1042 ILE  C   unknown type.  rad set to 1.9, chg 0
 1043 ILE  O   unknown type.  rad set to 1.9, chg 0
 1044 ASN  N   unknown type.  rad set to 1.9, chg 0
 1045 ASN   H  unknown type.  rad set to 1.9, chg 0
 1051 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 1052 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 1053 ASN  C   unknown type.  rad set to 1.9, chg 0
 1054 ASN  O   unknown type.  rad set to 1.9, chg 0
 1055 HIS  N   unknown type.  rad set to 1.9, chg 0
 1056 HIS   H  unknown type.  rad set to 1.9, chg 0
 1062 HIS   HD2unknown type.  rad set to 1.9, chg 0
 1064 HIS   HE1unknown type.  rad set to 1.9, chg 0
 1066 HIS   HE2unknown type.  rad set to 1.9, chg 0
 1067 HIS  C   unknown type.  rad set to 1.9, chg 0
 1068 HIS  O   unknown type.  rad set to 1.9, chg 0
 1069 MET  N   unknown type.  rad set to 1.9, chg 0
 1070 MET   H  unknown type.  rad set to 1.9, chg 0
 1076 MET  C   unknown type.  rad set to 1.9, chg 0
 1077 MET  O   unknown type.  rad set to 1.9, chg 0
 1078 CYS  N   unknown type.  rad set to 1.9, chg 0
 1079 CYS   H  unknown type.  rad set to 1.9, chg 0
 1083 CYS   HG unknown type.  rad set to 1.9, chg 0
 1084 CYS  C   unknown type.  rad set to 1.9, chg 0
 1085 CYS  O   unknown type.  rad set to 1.9, chg 0
 1086 GLY  N   unknown type.  rad set to 1.9, chg 0
 1087 GLY   H  unknown type.  rad set to 1.9, chg 0
 1089 GLY  C   unknown type.  rad set to 1.9, chg 0
 1090 GLY  O   unknown type.  rad set to 1.9, chg 0
 1091 SER  N   unknown type.  rad set to 1.9, chg 0
 1092 SER   H  unknown type.  rad set to 1.9, chg 0
 1096 SER   HG unknown type.  rad set to 1.9, chg 0
 1097 SER  C   unknown type.  rad set to 1.9, chg 0
 1098 SER  O   unknown type.  rad set to 1.9, chg 0
 1099 GLY  N   unknown type.  rad set to 1.9, chg 0
 1100 GLY   H  unknown type.  rad set to 1.9, chg 0
 1102 GLY  C   unknown type.  rad set to 1.9, chg 0
 1103 GLY  O   unknown type.  rad set to 1.9, chg 0
 1104 ALA  N   unknown type.  rad set to 1.9, chg 0
 1105 ALA   H  unknown type.  rad set to 1.9, chg 0
 1108 ALA  C   unknown type.  rad set to 1.9, chg 0
 1109 ALA  O   unknown type.  rad set to 1.9, chg 0
 1110 ALA  N   unknown type.  rad set to 1.9, chg 0
 1111 ALA   H  unknown type.  rad set to 1.9, chg 0
 1114 ALA  C   unknown type.  rad set to 1.9, chg 0
 1115 ALA  O   unknown type.  rad set to 1.9, chg 0
 1116 ALA  N   unknown type.  rad set to 1.9, chg 0
 1117 ALA   H  unknown type.  rad set to 1.9, chg 0
 1120 ALA  C   unknown type.  rad set to 1.9, chg 0
 1121 ALA  O   unknown type.  rad set to 1.9, chg 0
 1122 GLY  N   unknown type.  rad set to 1.9, chg 0
 1123 GLY   H  unknown type.  rad set to 1.9, chg 0
 1125 GLY  C   unknown type.  rad set to 1.9, chg 0
 1126 GLY  O   unknown type.  rad set to 1.9, chg 0
 1127 THR  N   unknown type.  rad set to 1.9, chg 0
 1128 THR   H  unknown type.  rad set to 1.9, chg 0
 1132 THR   HG1unknown type.  rad set to 1.9, chg 0
 1134 THR  C   unknown type.  rad set to 1.9, chg 0
 1135 THR  O   unknown type.  rad set to 1.9, chg 0
 1136 GLY  N   unknown type.  rad set to 1.9, chg 0
 1137 GLY   H  unknown type.  rad set to 1.9, chg 0
 1139 GLY  C   unknown type.  rad set to 1.9, chg 0
 1140 GLY  O   unknown type.  rad set to 1.9, chg 0
 1141 THR  N   unknown type.  rad set to 1.9, chg 0
 1142 THR   H  unknown type.  rad set to 1.9, chg 0
 1146 THR   HG1unknown type.  rad set to 1.9, chg 0
 1148 THR  C   unknown type.  rad set to 1.9, chg 0
 1149 THR  O   unknown type.  rad set to 1.9, chg 0
 1150 THR  N   unknown type.  rad set to 1.9, chg 0
 1151 THR   H  unknown type.  rad set to 1.9, chg 0
 1155 THR   HG1unknown type.  rad set to 1.9, chg 0
 1157 THR  C   unknown type.  rad set to 1.9, chg 0
 1158 THR  O   unknown type.  rad set to 1.9, chg 0
 1159 CYS  N   unknown type.  rad set to 1.9, chg 0
 1160 CYS   H  unknown type.  rad set to 1.9, chg 0
 1164 CYS  C   unknown type.  rad set to 1.9, chg 0
 1165 CYS  O   unknown type.  rad set to 1.9, chg 0
 1166 GLY  N   unknown type.  rad set to 1.9, chg 0
 1167 GLY   H  unknown type.  rad set to 1.9, chg 0
 1169 GLY  C   unknown type.  rad set to 1.9, chg 0
 1170 GLY  O   unknown type.  rad set to 1.9, chg 0
 1171 SER  N   unknown type.  rad set to 1.9, chg 0
 1172 SER   H  unknown type.  rad set to 1.9, chg 0
 1176 SER   HG unknown type.  rad set to 1.9, chg 0
 1177 SER  C   unknown type.  rad set to 1.9, chg 0
 1178 SER  O   unknown type.  rad set to 1.9, chg 0
 1179 TYR  N   unknown type.  rad set to 1.9, chg 0
 1180 TYR   H  unknown type.  rad set to 1.9, chg 0
 1185 TYR   HD1unknown type.  rad set to 1.9, chg 0
 1187 TYR   HD2unknown type.  rad set to 1.9, chg 0
 1189 TYR   HE1unknown type.  rad set to 1.9, chg 0
 1191 TYR   HE2unknown type.  rad set to 1.9, chg 0
 1194 TYR   HH unknown type.  rad set to 1.9, chg 0
 1195 TYR  C   unknown type.  rad set to 1.9, chg 0
 1196 TYR  O   unknown type.  rad set to 1.9, chg 0
 1197 CYS  N   unknown type.  rad set to 1.9, chg 0
 1198 CYS   H  unknown type.  rad set to 1.9, chg 0
 1202 CYS   HG unknown type.  rad set to 1.9, chg 0
 1203 CYS  C   unknown type.  rad set to 1.9, chg 0
 1204 CYS  O   unknown type.  rad set to 1.9, chg 0
 1205 ASN  N   unknown type.  rad set to 1.9, chg 0
 1206 ASN   H  unknown type.  rad set to 1.9, chg 0
 1212 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 1213 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 1214 ASN  C   unknown type.  rad set to 1.9, chg 0
 1215 ASN  O   unknown type.  rad set to 1.9, chg 0
 1216 PRO  N   unknown type.  rad set to 1.9, chg 0
 1221 PRO  C   unknown type.  rad set to 1.9, chg 0
 1222 PRO  O   unknown type.  rad set to 1.9, chg 0
 1223 GLY  N   unknown type.  rad set to 1.9, chg 0
 1224 GLY   H  unknown type.  rad set to 1.9, chg 0
 1226 GLY  C   unknown type.  rad set to 1.9, chg 0
 1227 GLY  O   unknown type.  rad set to 1.9, chg 0
 1228 SER  N   unknown type.  rad set to 1.9, chg 0
 1229 SER   H  unknown type.  rad set to 1.9, chg 0
 1233 SER   HG unknown type.  rad set to 1.9, chg 0
 1234 SER  C   unknown type.  rad set to 1.9, chg 0
 1235 SER  O   unknown type.  rad set to 1.9, chg 0
 1236 ARG  N   unknown type.  rad set to 1.9, chg 0
 1237 ARG   H  unknown type.  rad set to 1.9, chg 0
 1243 ARG   HE unknown type.  rad set to 1.9, chg 0
 1246 ARG  1HH1unknown type.  rad set to 1.9, chg 0
 1247 ARG  2HH1unknown type.  rad set to 1.9, chg 0
 1249 ARG  1HH2unknown type.  rad set to 1.9, chg 0
 1250 ARG  2HH2unknown type.  rad set to 1.9, chg 0
 1251 ARG  C   unknown type.  rad set to 1.9, chg 0
 1252 ARG  O   unknown type.  rad set to 1.9, chg 0
 1253 GLU  N   unknown type.  rad set to 1.9, chg 0
 1254 GLU   H  unknown type.  rad set to 1.9, chg 0
 1261 GLU  C   unknown type.  rad set to 1.9, chg 0
 1262 GLU  O   unknown type.  rad set to 1.9, chg 0
 1263 PHE  N   unknown type.  rad set to 1.9, chg 0
 1264 PHE   H  unknown type.  rad set to 1.9, chg 0
 1269 PHE   HD1unknown type.  rad set to 1.9, chg 0
 1271 PHE   HD2unknown type.  rad set to 1.9, chg 0
 1273 PHE   HE1unknown type.  rad set to 1.9, chg 0
 1275 PHE   HE2unknown type.  rad set to 1.9, chg 0
 1277 PHE   HZ unknown type.  rad set to 1.9, chg 0
 1278 PHE  C   unknown type.  rad set to 1.9, chg 0
 1279 PHE  O   unknown type.  rad set to 1.9, chg 0
 1280 PRO  N   unknown type.  rad set to 1.9, chg 0
 1285 PRO  C   unknown type.  rad set to 1.9, chg 0
 1286 PRO  O   unknown type.  rad set to 1.9, chg 0
 1287 ALA  N   unknown type.  rad set to 1.9, chg 0
 1288 ALA   H  unknown type.  rad set to 1.9, chg 0
 1291 ALA  C   unknown type.  rad set to 1.9, chg 0
 1292 ALA  O   unknown type.  rad set to 1.9, chg 0
 1293 VAL  N   unknown type.  rad set to 1.9, chg 0
 1294 VAL   H  unknown type.  rad set to 1.9, chg 0
 1299 VAL  C   unknown type.  rad set to 1.9, chg 0
 1300 VAL  O   unknown type.  rad set to 1.9, chg 0
 1301 PRO  N   unknown type.  rad set to 1.9, chg 0
 1306 PRO  C   unknown type.  rad set to 1.9, chg 0
 1307 PRO  O   unknown type.  rad set to 1.9, chg 0
 1308 TYR  N   unknown type.  rad set to 1.9, chg 0
 1309 TYR   H  unknown type.  rad set to 1.9, chg 0
 1314 TYR   HD1unknown type.  rad set to 1.9, chg 0
 1316 TYR   HD2unknown type.  rad set to 1.9, chg 0
 1318 TYR   HE1unknown type.  rad set to 1.9, chg 0
 1320 TYR   HE2unknown type.  rad set to 1.9, chg 0
 1323 TYR   HH unknown type.  rad set to 1.9, chg 0
 1324 TYR  C   unknown type.  rad set to 1.9, chg 0
 1325 TYR  O   unknown type.  rad set to 1.9, chg 0
 1326 SER  N   unknown type.  rad set to 1.9, chg 0
 1327 SER   H  unknown type.  rad set to 1.9, chg 0
 1331 SER   HG unknown type.  rad set to 1.9, chg 0
 1332 SER  C   unknown type.  rad set to 1.9, chg 0
 1333 SER  O   unknown type.  rad set to 1.9, chg 0
 1334 ALA  N   unknown type.  rad set to 1.9, chg 0
 1335 ALA   H  unknown type.  rad set to 1.9, chg 0
 1338 ALA  C   unknown type.  rad set to 1.9, chg 0
 1339 ALA  O   unknown type.  rad set to 1.9, chg 0
 1340 TRP  N   unknown type.  rad set to 1.9, chg 0
 1341 TRP   H  unknown type.  rad set to 1.9, chg 0
 1346 TRP   HD1unknown type.  rad set to 1.9, chg 0
 1349 TRP   HE1unknown type.  rad set to 1.9, chg 0
 1352 TRP   HE3unknown type.  rad set to 1.9, chg 0
 1354 TRP   HZ2unknown type.  rad set to 1.9, chg 0
 1356 TRP   HZ3unknown type.  rad set to 1.9, chg 0
 1358 TRP   HH2unknown type.  rad set to 1.9, chg 0
 1359 TRP  C   unknown type.  rad set to 1.9, chg 0
 1360 TRP  O   unknown type.  rad set to 1.9, chg 0
 1361 ASP  N   unknown type.  rad set to 1.9, chg 0
 1362 ASP   H  unknown type.  rad set to 1.9, chg 0
 1368 ASP  C   unknown type.  rad set to 1.9, chg 0
 1369 ASP  O   unknown type.  rad set to 1.9, chg 0
 1370 PHE  N   unknown type.  rad set to 1.9, chg 0
 1371 PHE   H  unknown type.  rad set to 1.9, chg 0
 1376 PHE   HD1unknown type.  rad set to 1.9, chg 0
 1378 PHE   HD2unknown type.  rad set to 1.9, chg 0
 1380 PHE   HE1unknown type.  rad set to 1.9, chg 0
 1382 PHE   HE2unknown type.  rad set to 1.9, chg 0
 1384 PHE   HZ unknown type.  rad set to 1.9, chg 0
 1385 PHE  C   unknown type.  rad set to 1.9, chg 0
 1386 PHE  O   unknown type.  rad set to 1.9, chg 0
 1387 ASN  N   unknown type.  rad set to 1.9, chg 0
 1388 ASN   H  unknown type.  rad set to 1.9, chg 0
 1394 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 1395 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 1396 ASN  C   unknown type.  rad set to 1.9, chg 0
 1397 ASN  O   unknown type.  rad set to 1.9, chg 0
 1398 ASP  N   unknown type.  rad set to 1.9, chg 0
 1399 ASP   H  unknown type.  rad set to 1.9, chg 0
 1405 ASP  C   unknown type.  rad set to 1.9, chg 0
 1406 ASP  O   unknown type.  rad set to 1.9, chg 0
 1407 GLY  N   unknown type.  rad set to 1.9, chg 0
 1408 GLY   H  unknown type.  rad set to 1.9, chg 0
 1410 GLY  C   unknown type.  rad set to 1.9, chg 0
 1411 GLY  O   unknown type.  rad set to 1.9, chg 0
 1412 LYS  N   unknown type.  rad set to 1.9, chg 0
 1413 LYS   H  unknown type.  rad set to 1.9, chg 0
 1420 LYS   HZ1unknown type.  rad set to 1.9, chg 0
 1421 LYS   HZ2unknown type.  rad set to 1.9, chg 0
 1422 LYS   HZ3unknown type.  rad set to 1.9, chg 0
 1423 LYS  C   unknown type.  rad set to 1.9, chg 0
 1424 LYS  O   unknown type.  rad set to 1.9, chg 0
 1425 CYS  N   unknown type.  rad set to 1.9, chg 0
 1426 CYS   H  unknown type.  rad set to 1.9, chg 0
 1430 CYS  C   unknown type.  rad set to 1.9, chg 0
 1431 CYS  O   unknown type.  rad set to 1.9, chg 0
 1432 LYS  N   unknown type.  rad set to 1.9, chg 0
 1433 LYS   H  unknown type.  rad set to 1.9, chg 0
 1440 LYS   HZ1unknown type.  rad set to 1.9, chg 0
 1441 LYS   HZ2unknown type.  rad set to 1.9, chg 0
 1442 LYS   HZ3unknown type.  rad set to 1.9, chg 0
 1443 LYS  C   unknown type.  rad set to 1.9, chg 0
 1444 LYS  O   unknown type.  rad set to 1.9, chg 0
 1445 THR  N   unknown type.  rad set to 1.9, chg 0
 1446 THR   H  unknown type.  rad set to 1.9, chg 0
 1450 THR   HG1unknown type.  rad set to 1.9, chg 0
 1452 THR  C   unknown type.  rad set to 1.9, chg 0
 1453 THR  O   unknown type.  rad set to 1.9, chg 0
 1454 ALA  N   unknown type.  rad set to 1.9, chg 0
 1455 ALA   H  unknown type.  rad set to 1.9, chg 0
 1458 ALA  C   unknown type.  rad set to 1.9, chg 0
 1459 ALA  O   unknown type.  rad set to 1.9, chg 0
 1460 SER  N   unknown type.  rad set to 1.9, chg 0
 1461 SER   H  unknown type.  rad set to 1.9, chg 0
 1465 SER   HG unknown type.  rad set to 1.9, chg 0
 1466 SER  C   unknown type.  rad set to 1.9, chg 0
 1467 SER  O   unknown type.  rad set to 1.9, chg 0
 1468 GLY  N   unknown type.  rad set to 1.9, chg 0
 1469 GLY   H  unknown type.  rad set to 1.9, chg 0
 1471 GLY  C   unknown type.  rad set to 1.9, chg 0
 1472 GLY  O   unknown type.  rad set to 1.9, chg 0
 1473 GLY  N   unknown type.  rad set to 1.9, chg 0
 1474 GLY   H  unknown type.  rad set to 1.9, chg 0
 1476 GLY  C   unknown type.  rad set to 1.9, chg 0
 1477 GLY  O   unknown type.  rad set to 1.9, chg 0
 1478 ILE  N   unknown type.  rad set to 1.9, chg 0
 1479 ILE   H  unknown type.  rad set to 1.9, chg 0
 1484 ILE   CD unknown type.  rad set to 1.9, chg 0
 1485 ILE  C   unknown type.  rad set to 1.9, chg 0
 1486 ILE  O   unknown type.  rad set to 1.9, chg 0
 1487 GLU  N   unknown type.  rad set to 1.9, chg 0
 1488 GLU   H  unknown type.  rad set to 1.9, chg 0
 1495 GLU  C   unknown type.  rad set to 1.9, chg 0
 1496 GLU  O   unknown type.  rad set to 1.9, chg 0
 1497 SER  N   unknown type.  rad set to 1.9, chg 0
 1498 SER   H  unknown type.  rad set to 1.9, chg 0
 1502 SER   HG unknown type.  rad set to 1.9, chg 0
 1503 SER  C   unknown type.  rad set to 1.9, chg 0
 1504 SER  O   unknown type.  rad set to 1.9, chg 0
 1505 TYR  N   unknown type.  rad set to 1.9, chg 0
 1506 TYR   H  unknown type.  rad set to 1.9, chg 0
 1511 TYR   HD1unknown type.  rad set to 1.9, chg 0
 1513 TYR   HD2unknown type.  rad set to 1.9, chg 0
 1515 TYR   HE1unknown type.  rad set to 1.9, chg 0
 1517 TYR   HE2unknown type.  rad set to 1.9, chg 0
 1520 TYR   HH unknown type.  rad set to 1.9, chg 0
 1521 TYR  C   unknown type.  rad set to 1.9, chg 0
 1522 TYR  O   unknown type.  rad set to 1.9, chg 0
 1523 ASN  N   unknown type.  rad set to 1.9, chg 0
 1524 ASN   H  unknown type.  rad set to 1.9, chg 0
 1530 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 1531 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 1532 ASN  C   unknown type.  rad set to 1.9, chg 0
 1533 ASN  O   unknown type.  rad set to 1.9, chg 0
 1534 ASP  N   unknown type.  rad set to 1.9, chg 0
 1535 ASP   H  unknown type.  rad set to 1.9, chg 0
 1541 ASP  C   unknown type.  rad set to 1.9, chg 0
 1542 ASP  O   unknown type.  rad set to 1.9, chg 0
 1543 PRO  N   unknown type.  rad set to 1.9, chg 0
 1548 PRO  C   unknown type.  rad set to 1.9, chg 0
 1549 PRO  O   unknown type.  rad set to 1.9, chg 0
 1550 TYR  N   unknown type.  rad set to 1.9, chg 0
 1551 TYR   H  unknown type.  rad set to 1.9, chg 0
 1556 TYR   HD1unknown type.  rad set to 1.9, chg 0
 1558 TYR   HD2unknown type.  rad set to 1.9, chg 0
 1560 TYR   HE1unknown type.  rad set to 1.9, chg 0
 1562 TYR   HE2unknown type.  rad set to 1.9, chg 0
 1565 TYR   HH unknown type.  rad set to 1.9, chg 0
 1566 TYR  C   unknown type.  rad set to 1.9, chg 0
 1567 TYR  O   unknown type.  rad set to 1.9, chg 0
 1568 GLN  N   unknown type.  rad set to 1.9, chg 0
 1569 GLN   H  unknown type.  rad set to 1.9, chg 0
 1576 GLN  1HE2unknown type.  rad set to 1.9, chg 0
 1577 GLN  2HE2unknown type.  rad set to 1.9, chg 0
 1578 GLN  C   unknown type.  rad set to 1.9, chg 0
 1579 GLN  O   unknown type.  rad set to 1.9, chg 0
 1580 VAL  N   unknown type.  rad set to 1.9, chg 0
 1581 VAL   H  unknown type.  rad set to 1.9, chg 0
 1586 VAL  C   unknown type.  rad set to 1.9, chg 0
 1587 VAL  O   unknown type.  rad set to 1.9, chg 0
 1588 ARG  N   unknown type.  rad set to 1.9, chg 0
 1589 ARG   H  unknown type.  rad set to 1.9, chg 0
 1595 ARG   HE unknown type.  rad set to 1.9, chg 0
 1598 ARG  1HH1unknown type.  rad set to 1.9, chg 0
 1599 ARG  2HH1unknown type.  rad set to 1.9, chg 0
 1601 ARG  1HH2unknown type.  rad set to 1.9, chg 0
 1602 ARG  2HH2unknown type.  rad set to 1.9, chg 0
 1603 ARG  C   unknown type.  rad set to 1.9, chg 0
 1604 ARG  O   unknown type.  rad set to 1.9, chg 0
 1605 ASP  N   unknown type.  rad set to 1.9, chg 0
 1606 ASP   H  unknown type.  rad set to 1.9, chg 0
 1612 ASP  C   unknown type.  rad set to 1.9, chg 0
 1613 ASP  O   unknown type.  rad set to 1.9, chg 0
 1614 CYS  N   unknown type.  rad set to 1.9, chg 0
 1615 CYS   H  unknown type.  rad set to 1.9, chg 0
 1619 CYS  C   unknown type.  rad set to 1.9, chg 0
 1620 CYS  O   unknown type.  rad set to 1.9, chg 0
 1621 GLN  N   unknown type.  rad set to 1.9, chg 0
 1622 GLN   H  unknown type.  rad set to 1.9, chg 0
 1629 GLN  1HE2unknown type.  rad set to 1.9, chg 0
 1630 GLN  2HE2unknown type.  rad set to 1.9, chg 0
 1631 GLN  C   unknown type.  rad set to 1.9, chg 0
 1632 GLN  O   unknown type.  rad set to 1.9, chg 0
 1633 LEU  N   unknown type.  rad set to 1.9, chg 0
 1634 LEU   H  unknown type.  rad set to 1.9, chg 0
 1640 LEU  C   unknown type.  rad set to 1.9, chg 0
 1641 LEU  O   unknown type.  rad set to 1.9, chg 0
 1642 VAL  N   unknown type.  rad set to 1.9, chg 0
 1643 VAL   H  unknown type.  rad set to 1.9, chg 0
 1648 VAL  C   unknown type.  rad set to 1.9, chg 0
 1649 VAL  O   unknown type.  rad set to 1.9, chg 0
 1650 GLY  N   unknown type.  rad set to 1.9, chg 0
 1651 GLY   H  unknown type.  rad set to 1.9, chg 0
 1653 GLY  C   unknown type.  rad set to 1.9, chg 0
 1654 GLY  O   unknown type.  rad set to 1.9, chg 0
 1655 LEU  N   unknown type.  rad set to 1.9, chg 0
 1656 LEU   H  unknown type.  rad set to 1.9, chg 0
 1662 LEU  C   unknown type.  rad set to 1.9, chg 0
 1663 LEU  O   unknown type.  rad set to 1.9, chg 0
 1664 LEU  N   unknown type.  rad set to 1.9, chg 0
 1665 LEU   H  unknown type.  rad set to 1.9, chg 0
 1671 LEU  C   unknown type.  rad set to 1.9, chg 0
 1672 LEU  O   unknown type.  rad set to 1.9, chg 0
 1673 ASP  N   unknown type.  rad set to 1.9, chg 0
 1674 ASP   H  unknown type.  rad set to 1.9, chg 0
 1680 ASP  C   unknown type.  rad set to 1.9, chg 0
 1681 ASP  O   unknown type.  rad set to 1.9, chg 0
 1682 LEU  N   unknown type.  rad set to 1.9, chg 0
 1683 LEU   H  unknown type.  rad set to 1.9, chg 0
 1689 LEU  C   unknown type.  rad set to 1.9, chg 0
 1690 LEU  O   unknown type.  rad set to 1.9, chg 0
 1691 ALA  N   unknown type.  rad set to 1.9, chg 0
 1692 ALA   H  unknown type.  rad set to 1.9, chg 0
 1695 ALA  C   unknown type.  rad set to 1.9, chg 0
 1696 ALA  O   unknown type.  rad set to 1.9, chg 0
 1697 LEU  N   unknown type.  rad set to 1.9, chg 0
 1698 LEU   H  unknown type.  rad set to 1.9, chg 0
 1704 LEU  C   unknown type.  rad set to 1.9, chg 0
 1705 LEU  O   unknown type.  rad set to 1.9, chg 0
 1706 GLU  N   unknown type.  rad set to 1.9, chg 0
 1707 GLU   H  unknown type.  rad set to 1.9, chg 0
 1714 GLU  C   unknown type.  rad set to 1.9, chg 0
 1715 GLU  O   unknown type.  rad set to 1.9, chg 0
 1716 LYS  N   unknown type.  rad set to 1.9, chg 0
 1717 LYS   H  unknown type.  rad set to 1.9, chg 0
 1724 LYS   HZ1unknown type.  rad set to 1.9, chg 0
 1725 LYS   HZ2unknown type.  rad set to 1.9, chg 0
 1726 LYS   HZ3unknown type.  rad set to 1.9, chg 0
 1727 LYS  C   unknown type.  rad set to 1.9, chg 0
 1728 LYS  O   unknown type.  rad set to 1.9, chg 0
 1729 ASP  N   unknown type.  rad set to 1.9, chg 0
 1730 ASP   H  unknown type.  rad set to 1.9, chg 0
 1736 ASP  C   unknown type.  rad set to 1.9, chg 0
 1737 ASP  O   unknown type.  rad set to 1.9, chg 0
 1738 TYR  N   unknown type.  rad set to 1.9, chg 0
 1739 TYR   H  unknown type.  rad set to 1.9, chg 0
 1744 TYR   HD1unknown type.  rad set to 1.9, chg 0
 1746 TYR   HD2unknown type.  rad set to 1.9, chg 0
 1748 TYR   HE1unknown type.  rad set to 1.9, chg 0
 1750 TYR   HE2unknown type.  rad set to 1.9, chg 0
 1753 TYR   HH unknown type.  rad set to 1.9, chg 0
 1754 TYR  C   unknown type.  rad set to 1.9, chg 0
 1755 TYR  O   unknown type.  rad set to 1.9, chg 0
 1756 VAL  N   unknown type.  rad set to 1.9, chg 0
 1757 VAL   H  unknown type.  rad set to 1.9, chg 0
 1762 VAL  C   unknown type.  rad set to 1.9, chg 0
 1763 VAL  O   unknown type.  rad set to 1.9, chg 0
 1764 ARG  N   unknown type.  rad set to 1.9, chg 0
 1765 ARG   H  unknown type.  rad set to 1.9, chg 0
 1771 ARG   HE unknown type.  rad set to 1.9, chg 0
 1774 ARG  1HH1unknown type.  rad set to 1.9, chg 0
 1775 ARG  2HH1unknown type.  rad set to 1.9, chg 0
 1777 ARG  1HH2unknown type.  rad set to 1.9, chg 0
 1778 ARG  2HH2unknown type.  rad set to 1.9, chg 0
 1779 ARG  C   unknown type.  rad set to 1.9, chg 0
 1780 ARG  O   unknown type.  rad set to 1.9, chg 0
 1781 SER  N   unknown type.  rad set to 1.9, chg 0
 1782 SER   H  unknown type.  rad set to 1.9, chg 0
 1786 SER   HG unknown type.  rad set to 1.9, chg 0
 1787 SER  C   unknown type.  rad set to 1.9, chg 0
 1788 SER  O   unknown type.  rad set to 1.9, chg 0
 1789 MET  N   unknown type.  rad set to 1.9, chg 0
 1790 MET   H  unknown type.  rad set to 1.9, chg 0
 1796 MET  C   unknown type.  rad set to 1.9, chg 0
 1797 MET  O   unknown type.  rad set to 1.9, chg 0
 1798 ILE  N   unknown type.  rad set to 1.9, chg 0
 1799 ILE   H  unknown type.  rad set to 1.9, chg 0
 1804 ILE   CD unknown type.  rad set to 1.9, chg 0
 1805 ILE  C   unknown type.  rad set to 1.9, chg 0
 1806 ILE  O   unknown type.  rad set to 1.9, chg 0
 1807 ALA  N   unknown type.  rad set to 1.9, chg 0
 1808 ALA   H  unknown type.  rad set to 1.9, chg 0
 1811 ALA  C   unknown type.  rad set to 1.9, chg 0
 1812 ALA  O   unknown type.  rad set to 1.9, chg 0
 1813 ASP  N   unknown type.  rad set to 1.9, chg 0
 1814 ASP   H  unknown type.  rad set to 1.9, chg 0
 1820 ASP  C   unknown type.  rad set to 1.9, chg 0
 1821 ASP  O   unknown type.  rad set to 1.9, chg 0
 1822 TYR  N   unknown type.  rad set to 1.9, chg 0
 1823 TYR   H  unknown type.  rad set to 1.9, chg 0
 1828 TYR   HD1unknown type.  rad set to 1.9, chg 0
 1830 TYR   HD2unknown type.  rad set to 1.9, chg 0
 1832 TYR   HE1unknown type.  rad set to 1.9, chg 0
 1834 TYR   HE2unknown type.  rad set to 1.9, chg 0
 1837 TYR   HH unknown type.  rad set to 1.9, chg 0
 1838 TYR  C   unknown type.  rad set to 1.9, chg 0
 1839 TYR  O   unknown type.  rad set to 1.9, chg 0
 1840 LEU  N   unknown type.  rad set to 1.9, chg 0
 1841 LEU   H  unknown type.  rad set to 1.9, chg 0
 1847 LEU  C   unknown type.  rad set to 1.9, chg 0
 1848 LEU  O   unknown type.  rad set to 1.9, chg 0
 1849 ASN  N   unknown type.  rad set to 1.9, chg 0
 1850 ASN   H  unknown type.  rad set to 1.9, chg 0
 1856 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 1857 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 1858 ASN  C   unknown type.  rad set to 1.9, chg 0
 1859 ASN  O   unknown type.  rad set to 1.9, chg 0
 1860 LYS  N   unknown type.  rad set to 1.9, chg 0
 1861 LYS   H  unknown type.  rad set to 1.9, chg 0
 1868 LYS   HZ1unknown type.  rad set to 1.9, chg 0
 1869 LYS   HZ2unknown type.  rad set to 1.9, chg 0
 1870 LYS   HZ3unknown type.  rad set to 1.9, chg 0
 1871 LYS  C   unknown type.  rad set to 1.9, chg 0
 1872 LYS  O   unknown type.  rad set to 1.9, chg 0
 1873 LEU  N   unknown type.  rad set to 1.9, chg 0
 1874 LEU   H  unknown type.  rad set to 1.9, chg 0
 1880 LEU  C   unknown type.  rad set to 1.9, chg 0
 1881 LEU  O   unknown type.  rad set to 1.9, chg 0
 1882 ILE  N   unknown type.  rad set to 1.9, chg 0
 1883 ILE   H  unknown type.  rad set to 1.9, chg 0
 1888 ILE   CD unknown type.  rad set to 1.9, chg 0
 1889 ILE  C   unknown type.  rad set to 1.9, chg 0
 1890 ILE  O   unknown type.  rad set to 1.9, chg 0
 1891 ASP  N   unknown type.  rad set to 1.9, chg 0
 1892 ASP   H  unknown type.  rad set to 1.9, chg 0
 1898 ASP  C   unknown type.  rad set to 1.9, chg 0
 1899 ASP  O   unknown type.  rad set to 1.9, chg 0
 1900 ILE  N   unknown type.  rad set to 1.9, chg 0
 1901 ILE   H  unknown type.  rad set to 1.9, chg 0
 1906 ILE   CD unknown type.  rad set to 1.9, chg 0
 1907 ILE  C   unknown type.  rad set to 1.9, chg 0
 1908 ILE  O   unknown type.  rad set to 1.9, chg 0
 1909 GLY  N   unknown type.  rad set to 1.9, chg 0
 1910 GLY   H  unknown type.  rad set to 1.9, chg 0
 1912 GLY  C   unknown type.  rad set to 1.9, chg 0
 1913 GLY  O   unknown type.  rad set to 1.9, chg 0
 1914 VAL  N   unknown type.  rad set to 1.9, chg 0
 1915 VAL   H  unknown type.  rad set to 1.9, chg 0
 1920 VAL  C   unknown type.  rad set to 1.9, chg 0
 1921 VAL  O   unknown type.  rad set to 1.9, chg 0
 1922 ALA  N   unknown type.  rad set to 1.9, chg 0
 1923 ALA   H  unknown type.  rad set to 1.9, chg 0
 1926 ALA  C   unknown type.  rad set to 1.9, chg 0
 1927 ALA  O   unknown type.  rad set to 1.9, chg 0
 1928 GLY  N   unknown type.  rad set to 1.9, chg 0
 1929 GLY   H  unknown type.  rad set to 1.9, chg 0
 1931 GLY  C   unknown type.  rad set to 1.9, chg 0
 1932 GLY  O   unknown type.  rad set to 1.9, chg 0
 1933 PHE  N   unknown type.  rad set to 1.9, chg 0
 1934 PHE   H  unknown type.  rad set to 1.9, chg 0
 1939 PHE   HD1unknown type.  rad set to 1.9, chg 0
 1941 PHE   HD2unknown type.  rad set to 1.9, chg 0
 1943 PHE   HE1unknown type.  rad set to 1.9, chg 0
 1945 PHE   HE2unknown type.  rad set to 1.9, chg 0
 1947 PHE   HZ unknown type.  rad set to 1.9, chg 0
 1948 PHE  C   unknown type.  rad set to 1.9, chg 0
 1949 PHE  O   unknown type.  rad set to 1.9, chg 0
 1950 ARG  N   unknown type.  rad set to 1.9, chg 0
 1951 ARG   H  unknown type.  rad set to 1.9, chg 0
 1957 ARG   HE unknown type.  rad set to 1.9, chg 0
 1960 ARG  1HH1unknown type.  rad set to 1.9, chg 0
 1961 ARG  2HH1unknown type.  rad set to 1.9, chg 0
 1963 ARG  1HH2unknown type.  rad set to 1.9, chg 0
 1964 ARG  2HH2unknown type.  rad set to 1.9, chg 0
 1965 ARG  C   unknown type.  rad set to 1.9, chg 0
 1966 ARG  O   unknown type.  rad set to 1.9, chg 0
 1967 ILE  N   unknown type.  rad set to 1.9, chg 0
 1968 ILE   H  unknown type.  rad set to 1.9, chg 0
 1973 ILE   CD unknown type.  rad set to 1.9, chg 0
 1974 ILE  C   unknown type.  rad set to 1.9, chg 0
 1975 ILE  O   unknown type.  rad set to 1.9, chg 0
 1976 ASP  N   unknown type.  rad set to 1.9, chg 0
 1977 ASP   H  unknown type.  rad set to 1.9, chg 0
 1983 ASP  C   unknown type.  rad set to 1.9, chg 0
 1984 ASP  O   unknown type.  rad set to 1.9, chg 0
 1985 ALA  N   unknown type.  rad set to 1.9, chg 0
 1986 ALA   H  unknown type.  rad set to 1.9, chg 0
 1989 ALA  C   unknown type.  rad set to 1.9, chg 0
 1990 ALA  O   unknown type.  rad set to 1.9, chg 0
 1991 SER  N   unknown type.  rad set to 1.9, chg 0
 1992 SER   H  unknown type.  rad set to 1.9, chg 0
 1996 SER   HG unknown type.  rad set to 1.9, chg 0
 1997 SER  C   unknown type.  rad set to 1.9, chg 0
 1998 SER  O   unknown type.  rad set to 1.9, chg 0
 1999 LYS  N   unknown type.  rad set to 1.9, chg 0
 2000 LYS   H  unknown type.  rad set to 1.9, chg 0
 2007 LYS   HZ1unknown type.  rad set to 1.9, chg 0
 2008 LYS   HZ2unknown type.  rad set to 1.9, chg 0
 2009 LYS   HZ3unknown type.  rad set to 1.9, chg 0
 2010 LYS  C   unknown type.  rad set to 1.9, chg 0
 2011 LYS  O   unknown type.  rad set to 1.9, chg 0
 2012 HIS  N   unknown type.  rad set to 1.9, chg 0
 2013 HIS   H  unknown type.  rad set to 1.9, chg 0
 2018 HIS   HD1unknown type.  rad set to 1.9, chg 0
 2020 HIS   HD2unknown type.  rad set to 1.9, chg 0
 2022 HIS   HE1unknown type.  rad set to 1.9, chg 0
 2024 HIS  C   unknown type.  rad set to 1.9, chg 0
 2025 HIS  O   unknown type.  rad set to 1.9, chg 0
 2026 MET  N   unknown type.  rad set to 1.9, chg 0
 2027 MET   H  unknown type.  rad set to 1.9, chg 0
 2033 MET  C   unknown type.  rad set to 1.9, chg 0
 2034 MET  O   unknown type.  rad set to 1.9, chg 0
 2035 TRP  N   unknown type.  rad set to 1.9, chg 0
 2036 TRP   H  unknown type.  rad set to 1.9, chg 0
 2041 TRP   HD1unknown type.  rad set to 1.9, chg 0
 2044 TRP   HE1unknown type.  rad set to 1.9, chg 0
 2047 TRP   HE3unknown type.  rad set to 1.9, chg 0
 2049 TRP   HZ2unknown type.  rad set to 1.9, chg 0
 2051 TRP   HZ3unknown type.  rad set to 1.9, chg 0
 2053 TRP   HH2unknown type.  rad set to 1.9, chg 0
 2054 TRP  C   unknown type.  rad set to 1.9, chg 0
 2055 TRP  O   unknown type.  rad set to 1.9, chg 0
 2056 PRO  N   unknown type.  rad set to 1.9, chg 0
 2061 PRO  C   unknown type.  rad set to 1.9, chg 0
 2062 PRO  O   unknown type.  rad set to 1.9, chg 0
 2063 GLY  N   unknown type.  rad set to 1.9, chg 0
 2064 GLY   H  unknown type.  rad set to 1.9, chg 0
 2066 GLY  C   unknown type.  rad set to 1.9, chg 0
 2067 GLY  O   unknown type.  rad set to 1.9, chg 0
 2068 ASP  N   unknown type.  rad set to 1.9, chg 0
 2069 ASP   H  unknown type.  rad set to 1.9, chg 0
 2075 ASP  C   unknown type.  rad set to 1.9, chg 0
 2076 ASP  O   unknown type.  rad set to 1.9, chg 0
 2077 ILE  N   unknown type.  rad set to 1.9, chg 0
 2078 ILE   H  unknown type.  rad set to 1.9, chg 0
 2083 ILE   CD unknown type.  rad set to 1.9, chg 0
 2084 ILE  C   unknown type.  rad set to 1.9, chg 0
 2085 ILE  O   unknown type.  rad set to 1.9, chg 0
 2086 LYS  N   unknown type.  rad set to 1.9, chg 0
 2087 LYS   H  unknown type.  rad set to 1.9, chg 0
 2094 LYS   HZ1unknown type.  rad set to 1.9, chg 0
 2095 LYS   HZ2unknown type.  rad set to 1.9, chg 0
 2096 LYS   HZ3unknown type.  rad set to 1.9, chg 0
 2097 LYS  C   unknown type.  rad set to 1.9, chg 0
 2098 LYS  O   unknown type.  rad set to 1.9, chg 0
 2099 ALA  N   unknown type.  rad set to 1.9, chg 0
 2100 ALA   H  unknown type.  rad set to 1.9, chg 0
 2103 ALA  C   unknown type.  rad set to 1.9, chg 0
 2104 ALA  O   unknown type.  rad set to 1.9, chg 0
 2105 VAL  N   unknown type.  rad set to 1.9, chg 0
 2106 VAL   H  unknown type.  rad set to 1.9, chg 0
 2111 VAL  C   unknown type.  rad set to 1.9, chg 0
 2112 VAL  O   unknown type.  rad set to 1.9, chg 0
 2113 LEU  N   unknown type.  rad set to 1.9, chg 0
 2114 LEU   H  unknown type.  rad set to 1.9, chg 0
 2120 LEU  C   unknown type.  rad set to 1.9, chg 0
 2121 LEU  O   unknown type.  rad set to 1.9, chg 0
 2122 ASP  N   unknown type.  rad set to 1.9, chg 0
 2123 ASP   H  unknown type.  rad set to 1.9, chg 0
 2129 ASP  C   unknown type.  rad set to 1.9, chg 0
 2130 ASP  O   unknown type.  rad set to 1.9, chg 0
 2131 LYS  N   unknown type.  rad set to 1.9, chg 0
 2132 LYS   H  unknown type.  rad set to 1.9, chg 0
 2139 LYS   HZ1unknown type.  rad set to 1.9, chg 0
 2140 LYS   HZ2unknown type.  rad set to 1.9, chg 0
 2141 LYS   HZ3unknown type.  rad set to 1.9, chg 0
 2142 LYS  C   unknown type.  rad set to 1.9, chg 0
 2143 LYS  O   unknown type.  rad set to 1.9, chg 0
 2144 LEU  N   unknown type.  rad set to 1.9, chg 0
 2145 LEU   H  unknown type.  rad set to 1.9, chg 0
 2151 LEU  C   unknown type.  rad set to 1.9, chg 0
 2152 LEU  O   unknown type.  rad set to 1.9, chg 0
 2153 HIS  N   unknown type.  rad set to 1.9, chg 0
 2154 HIS   H  unknown type.  rad set to 1.9, chg 0
 2159 HIS   HD1unknown type.  rad set to 1.9, chg 0
 2161 HIS   HD2unknown type.  rad set to 1.9, chg 0
 2163 HIS   HE1unknown type.  rad set to 1.9, chg 0
 2165 HIS  C   unknown type.  rad set to 1.9, chg 0
 2166 HIS  O   unknown type.  rad set to 1.9, chg 0
 2167 ASN  N   unknown type.  rad set to 1.9, chg 0
 2168 ASN   H  unknown type.  rad set to 1.9, chg 0
 2174 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 2175 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 2176 ASN  C   unknown type.  rad set to 1.9, chg 0
 2177 ASN  O   unknown type.  rad set to 1.9, chg 0
 2178 LEU  N   unknown type.  rad set to 1.9, chg 0
 2179 LEU   H  unknown type.  rad set to 1.9, chg 0
 2185 LEU  C   unknown type.  rad set to 1.9, chg 0
 2186 LEU  O   unknown type.  rad set to 1.9, chg 0
 2187 ASN  N   unknown type.  rad set to 1.9, chg 0
 2188 ASN   H  unknown type.  rad set to 1.9, chg 0
 2194 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 2195 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 2196 ASN  C   unknown type.  rad set to 1.9, chg 0
 2197 ASN  O   unknown type.  rad set to 1.9, chg 0
 2198 THR  N   unknown type.  rad set to 1.9, chg 0
 2199 THR   H  unknown type.  rad set to 1.9, chg 0
 2203 THR   HG1unknown type.  rad set to 1.9, chg 0
 2205 THR  C   unknown type.  rad set to 1.9, chg 0
 2206 THR  O   unknown type.  rad set to 1.9, chg 0
 2207 ASN  N   unknown type.  rad set to 1.9, chg 0
 2208 ASN   H  unknown type.  rad set to 1.9, chg 0
 2214 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 2215 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 2216 ASN  C   unknown type.  rad set to 1.9, chg 0
 2217 ASN  O   unknown type.  rad set to 1.9, chg 0
 2218 TRP  N   unknown type.  rad set to 1.9, chg 0
 2219 TRP   H  unknown type.  rad set to 1.9, chg 0
 2224 TRP   HD1unknown type.  rad set to 1.9, chg 0
 2227 TRP   HE1unknown type.  rad set to 1.9, chg 0
 2230 TRP   HE3unknown type.  rad set to 1.9, chg 0
 2232 TRP   HZ2unknown type.  rad set to 1.9, chg 0
 2234 TRP   HZ3unknown type.  rad set to 1.9, chg 0
 2236 TRP   HH2unknown type.  rad set to 1.9, chg 0
 2237 TRP  C   unknown type.  rad set to 1.9, chg 0
 2238 TRP  O   unknown type.  rad set to 1.9, chg 0
 2239 PHE  N   unknown type.  rad set to 1.9, chg 0
 2240 PHE   H  unknown type.  rad set to 1.9, chg 0
 2245 PHE   HD1unknown type.  rad set to 1.9, chg 0
 2247 PHE   HD2unknown type.  rad set to 1.9, chg 0
 2249 PHE   HE1unknown type.  rad set to 1.9, chg 0
 2251 PHE   HE2unknown type.  rad set to 1.9, chg 0
 2253 PHE   HZ unknown type.  rad set to 1.9, chg 0
 2254 PHE  C   unknown type.  rad set to 1.9, chg 0
 2255 PHE  O   unknown type.  rad set to 1.9, chg 0
 2256 PRO  N   unknown type.  rad set to 1.9, chg 0
 2261 PRO  C   unknown type.  rad set to 1.9, chg 0
 2262 PRO  O   unknown type.  rad set to 1.9, chg 0
 2263 ALA  N   unknown type.  rad set to 1.9, chg 0
 2264 ALA   H  unknown type.  rad set to 1.9, chg 0
 2267 ALA  C   unknown type.  rad set to 1.9, chg 0
 2268 ALA  O   unknown type.  rad set to 1.9, chg 0
 2269 GLY  N   unknown type.  rad set to 1.9, chg 0
 2270 GLY   H  unknown type.  rad set to 1.9, chg 0
 2272 GLY  C   unknown type.  rad set to 1.9, chg 0
 2273 GLY  O   unknown type.  rad set to 1.9, chg 0
 2274 SER  N   unknown type.  rad set to 1.9, chg 0
 2275 SER   H  unknown type.  rad set to 1.9, chg 0
 2279 SER   HG unknown type.  rad set to 1.9, chg 0
 2280 SER  C   unknown type.  rad set to 1.9, chg 0
 2281 SER  O   unknown type.  rad set to 1.9, chg 0
 2282 ARG  N   unknown type.  rad set to 1.9, chg 0
 2283 ARG   H  unknown type.  rad set to 1.9, chg 0
 2289 ARG   HE unknown type.  rad set to 1.9, chg 0
 2292 ARG  1HH1unknown type.  rad set to 1.9, chg 0
 2293 ARG  2HH1unknown type.  rad set to 1.9, chg 0
 2295 ARG  1HH2unknown type.  rad set to 1.9, chg 0
 2296 ARG  2HH2unknown type.  rad set to 1.9, chg 0
 2297 ARG  C   unknown type.  rad set to 1.9, chg 0
 2298 ARG  O   unknown type.  rad set to 1.9, chg 0
 2299 PRO  N   unknown type.  rad set to 1.9, chg 0
 2304 PRO  C   unknown type.  rad set to 1.9, chg 0
 2305 PRO  O   unknown type.  rad set to 1.9, chg 0
 2306 PHE  N   unknown type.  rad set to 1.9, chg 0
 2307 PHE   H  unknown type.  rad set to 1.9, chg 0
 2312 PHE   HD1unknown type.  rad set to 1.9, chg 0
 2314 PHE   HD2unknown type.  rad set to 1.9, chg 0
 2316 PHE   HE1unknown type.  rad set to 1.9, chg 0
 2318 PHE   HE2unknown type.  rad set to 1.9, chg 0
 2320 PHE   HZ unknown type.  rad set to 1.9, chg 0
 2321 PHE  C   unknown type.  rad set to 1.9, chg 0
 2322 PHE  O   unknown type.  rad set to 1.9, chg 0
 2323 ILE  N   unknown type.  rad set to 1.9, chg 0
 2324 ILE   H  unknown type.  rad set to 1.9, chg 0
 2329 ILE   CD unknown type.  rad set to 1.9, chg 0
 2330 ILE  C   unknown type.  rad set to 1.9, chg 0
 2331 ILE  O   unknown type.  rad set to 1.9, chg 0
 2332 PHE  N   unknown type.  rad set to 1.9, chg 0
 2333 PHE   H  unknown type.  rad set to 1.9, chg 0
 2338 PHE   HD1unknown type.  rad set to 1.9, chg 0
 2340 PHE   HD2unknown type.  rad set to 1.9, chg 0
 2342 PHE   HE1unknown type.  rad set to 1.9, chg 0
 2344 PHE   HE2unknown type.  rad set to 1.9, chg 0
 2346 PHE   HZ unknown type.  rad set to 1.9, chg 0
 2347 PHE  C   unknown type.  rad set to 1.9, chg 0
 2348 PHE  O   unknown type.  rad set to 1.9, chg 0
 2349 GLN  N   unknown type.  rad set to 1.9, chg 0
 2350 GLN   H  unknown type.  rad set to 1.9, chg 0
 2357 GLN  1HE2unknown type.  rad set to 1.9, chg 0
 2358 GLN  2HE2unknown type.  rad set to 1.9, chg 0
 2359 GLN  C   unknown type.  rad set to 1.9, chg 0
 2360 GLN  O   unknown type.  rad set to 1.9, chg 0
 2361 GLU  N   unknown type.  rad set to 1.9, chg 0
 2362 GLU   H  unknown type.  rad set to 1.9, chg 0
 2369 GLU  C   unknown type.  rad set to 1.9, chg 0
 2370 GLU  O   unknown type.  rad set to 1.9, chg 0
 2371 VAL  N   unknown type.  rad set to 1.9, chg 0
 2372 VAL   H  unknown type.  rad set to 1.9, chg 0
 2377 VAL  C   unknown type.  rad set to 1.9, chg 0
 2378 VAL  O   unknown type.  rad set to 1.9, chg 0
 2379 ILE  N   unknown type.  rad set to 1.9, chg 0
 2380 ILE   H  unknown type.  rad set to 1.9, chg 0
 2385 ILE   CD unknown type.  rad set to 1.9, chg 0
 2386 ILE  C   unknown type.  rad set to 1.9, chg 0
 2387 ILE  O   unknown type.  rad set to 1.9, chg 0
 2388 ASP  N   unknown type.  rad set to 1.9, chg 0
 2389 ASP   H  unknown type.  rad set to 1.9, chg 0
 2395 ASP  C   unknown type.  rad set to 1.9, chg 0
 2396 ASP  O   unknown type.  rad set to 1.9, chg 0
 2397 LEU  N   unknown type.  rad set to 1.9, chg 0
 2398 LEU   H  unknown type.  rad set to 1.9, chg 0
 2404 LEU  C   unknown type.  rad set to 1.9, chg 0
 2405 LEU  O   unknown type.  rad set to 1.9, chg 0
 2406 GLY  N   unknown type.  rad set to 1.9, chg 0
 2407 GLY   H  unknown type.  rad set to 1.9, chg 0
 2409 GLY  C   unknown type.  rad set to 1.9, chg 0
 2410 GLY  O   unknown type.  rad set to 1.9, chg 0
 2411 GLY  N   unknown type.  rad set to 1.9, chg 0
 2412 GLY   H  unknown type.  rad set to 1.9, chg 0
 2414 GLY  C   unknown type.  rad set to 1.9, chg 0
 2415 GLY  O   unknown type.  rad set to 1.9, chg 0
 2416 GLU  N   unknown type.  rad set to 1.9, chg 0
 2417 GLU   H  unknown type.  rad set to 1.9, chg 0
 2424 GLU  C   unknown type.  rad set to 1.9, chg 0
 2425 GLU  O   unknown type.  rad set to 1.9, chg 0
 2426 ALA  N   unknown type.  rad set to 1.9, chg 0
 2427 ALA   H  unknown type.  rad set to 1.9, chg 0
 2430 ALA  C   unknown type.  rad set to 1.9, chg 0
 2431 ALA  O   unknown type.  rad set to 1.9, chg 0
 2432 ILE  N   unknown type.  rad set to 1.9, chg 0
 2433 ILE   H  unknown type.  rad set to 1.9, chg 0
 2438 ILE   CD unknown type.  rad set to 1.9, chg 0
 2439 ILE  C   unknown type.  rad set to 1.9, chg 0
 2440 ILE  O   unknown type.  rad set to 1.9, chg 0
 2441 GLN  N   unknown type.  rad set to 1.9, chg 0
 2442 GLN   H  unknown type.  rad set to 1.9, chg 0
 2449 GLN  1HE2unknown type.  rad set to 1.9, chg 0
 2450 GLN  2HE2unknown type.  rad set to 1.9, chg 0
 2451 GLN  C   unknown type.  rad set to 1.9, chg 0
 2452 GLN  O   unknown type.  rad set to 1.9, chg 0
 2453 SER  N   unknown type.  rad set to 1.9, chg 0
 2454 SER   H  unknown type.  rad set to 1.9, chg 0
 2458 SER   HG unknown type.  rad set to 1.9, chg 0
 2459 SER  C   unknown type.  rad set to 1.9, chg 0
 2460 SER  O   unknown type.  rad set to 1.9, chg 0
 2461 SER  N   unknown type.  rad set to 1.9, chg 0
 2462 SER   H  unknown type.  rad set to 1.9, chg 0
 2466 SER   HG unknown type.  rad set to 1.9, chg 0
 2467 SER  C   unknown type.  rad set to 1.9, chg 0
 2468 SER  O   unknown type.  rad set to 1.9, chg 0
 2469 GLU  N   unknown type.  rad set to 1.9, chg 0
 2470 GLU   H  unknown type.  rad set to 1.9, chg 0
 2477 GLU  C   unknown type.  rad set to 1.9, chg 0
 2478 GLU  O   unknown type.  rad set to 1.9, chg 0
 2479 TYR  N   unknown type.  rad set to 1.9, chg 0
 2480 TYR   H  unknown type.  rad set to 1.9, chg 0
 2485 TYR   HD1unknown type.  rad set to 1.9, chg 0
 2487 TYR   HD2unknown type.  rad set to 1.9, chg 0
 2489 TYR   HE1unknown type.  rad set to 1.9, chg 0
 2491 TYR   HE2unknown type.  rad set to 1.9, chg 0
 2494 TYR   HH unknown type.  rad set to 1.9, chg 0
 2495 TYR  C   unknown type.  rad set to 1.9, chg 0
 2496 TYR  O   unknown type.  rad set to 1.9, chg 0
 2497 PHE  N   unknown type.  rad set to 1.9, chg 0
 2498 PHE   H  unknown type.  rad set to 1.9, chg 0
 2503 PHE   HD1unknown type.  rad set to 1.9, chg 0
 2505 PHE   HD2unknown type.  rad set to 1.9, chg 0
 2507 PHE   HE1unknown type.  rad set to 1.9, chg 0
 2509 PHE   HE2unknown type.  rad set to 1.9, chg 0
 2511 PHE   HZ unknown type.  rad set to 1.9, chg 0
 2512 PHE  C   unknown type.  rad set to 1.9, chg 0
 2513 PHE  O   unknown type.  rad set to 1.9, chg 0
 2514 GLY  N   unknown type.  rad set to 1.9, chg 0
 2515 GLY   H  unknown type.  rad set to 1.9, chg 0
 2517 GLY  C   unknown type.  rad set to 1.9, chg 0
 2518 GLY  O   unknown type.  rad set to 1.9, chg 0
 2519 ASN  N   unknown type.  rad set to 1.9, chg 0
 2520 ASN   H  unknown type.  rad set to 1.9, chg 0
 2526 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 2527 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 2528 ASN  C   unknown type.  rad set to 1.9, chg 0
 2529 ASN  O   unknown type.  rad set to 1.9, chg 0
 2530 GLY  N   unknown type.  rad set to 1.9, chg 0
 2531 GLY   H  unknown type.  rad set to 1.9, chg 0
 2533 GLY  C   unknown type.  rad set to 1.9, chg 0
 2534 GLY  O   unknown type.  rad set to 1.9, chg 0
 2535 ARG  N   unknown type.  rad set to 1.9, chg 0
 2536 ARG   H  unknown type.  rad set to 1.9, chg 0
 2542 ARG   HE unknown type.  rad set to 1.9, chg 0
 2545 ARG  1HH1unknown type.  rad set to 1.9, chg 0
 2546 ARG  2HH1unknown type.  rad set to 1.9, chg 0
 2548 ARG  1HH2unknown type.  rad set to 1.9, chg 0
 2549 ARG  2HH2unknown type.  rad set to 1.9, chg 0
 2550 ARG  C   unknown type.  rad set to 1.9, chg 0
 2551 ARG  O   unknown type.  rad set to 1.9, chg 0
 2552 VAL  N   unknown type.  rad set to 1.9, chg 0
 2553 VAL   H  unknown type.  rad set to 1.9, chg 0
 2558 VAL  C   unknown type.  rad set to 1.9, chg 0
 2559 VAL  O   unknown type.  rad set to 1.9, chg 0
 2560 THR  N   unknown type.  rad set to 1.9, chg 0
 2561 THR   H  unknown type.  rad set to 1.9, chg 0
 2565 THR   HG1unknown type.  rad set to 1.9, chg 0
 2567 THR  C   unknown type.  rad set to 1.9, chg 0
 2568 THR  O   unknown type.  rad set to 1.9, chg 0
 2569 GLU  N   unknown type.  rad set to 1.9, chg 0
 2570 GLU   H  unknown type.  rad set to 1.9, chg 0
 2577 GLU  C   unknown type.  rad set to 1.9, chg 0
 2578 GLU  O   unknown type.  rad set to 1.9, chg 0
 2579 PHE  N   unknown type.  rad set to 1.9, chg 0
 2580 PHE   H  unknown type.  rad set to 1.9, chg 0
 2585 PHE   HD1unknown type.  rad set to 1.9, chg 0
 2587 PHE   HD2unknown type.  rad set to 1.9, chg 0
 2589 PHE   HE1unknown type.  rad set to 1.9, chg 0
 2591 PHE   HE2unknown type.  rad set to 1.9, chg 0
 2593 PHE   HZ unknown type.  rad set to 1.9, chg 0
 2594 PHE  C   unknown type.  rad set to 1.9, chg 0
 2595 PHE  O   unknown type.  rad set to 1.9, chg 0
 2596 LYS  N   unknown type.  rad set to 1.9, chg 0
 2597 LYS   H  unknown type.  rad set to 1.9, chg 0
 2604 LYS   HZ1unknown type.  rad set to 1.9, chg 0
 2605 LYS   HZ2unknown type.  rad set to 1.9, chg 0
 2606 LYS   HZ3unknown type.  rad set to 1.9, chg 0
 2607 LYS  C   unknown type.  rad set to 1.9, chg 0
 2608 LYS  O   unknown type.  rad set to 1.9, chg 0
 2609 TYR  N   unknown type.  rad set to 1.9, chg 0
 2610 TYR   H  unknown type.  rad set to 1.9, chg 0
 2615 TYR   HD1unknown type.  rad set to 1.9, chg 0
 2617 TYR   HD2unknown type.  rad set to 1.9, chg 0
 2619 TYR   HE1unknown type.  rad set to 1.9, chg 0
 2621 TYR   HE2unknown type.  rad set to 1.9, chg 0
 2624 TYR   HH unknown type.  rad set to 1.9, chg 0
 2625 TYR  C   unknown type.  rad set to 1.9, chg 0
 2626 TYR  O   unknown type.  rad set to 1.9, chg 0
 2627 GLY  N   unknown type.  rad set to 1.9, chg 0
 2628 GLY   H  unknown type.  rad set to 1.9, chg 0
 2630 GLY  C   unknown type.  rad set to 1.9, chg 0
 2631 GLY  O   unknown type.  rad set to 1.9, chg 0
 2632 ALA  N   unknown type.  rad set to 1.9, chg 0
 2633 ALA   H  unknown type.  rad set to 1.9, chg 0
 2636 ALA  C   unknown type.  rad set to 1.9, chg 0
 2637 ALA  O   unknown type.  rad set to 1.9, chg 0
 2638 LYS  N   unknown type.  rad set to 1.9, chg 0
 2639 LYS   H  unknown type.  rad set to 1.9, chg 0
 2646 LYS   HZ1unknown type.  rad set to 1.9, chg 0
 2647 LYS   HZ2unknown type.  rad set to 1.9, chg 0
 2648 LYS   HZ3unknown type.  rad set to 1.9, chg 0
 2649 LYS  C   unknown type.  rad set to 1.9, chg 0
 2650 LYS  O   unknown type.  rad set to 1.9, chg 0
 2651 LEU  N   unknown type.  rad set to 1.9, chg 0
 2652 LEU   H  unknown type.  rad set to 1.9, chg 0
 2658 LEU  C   unknown type.  rad set to 1.9, chg 0
 2659 LEU  O   unknown type.  rad set to 1.9, chg 0
 2660 GLY  N   unknown type.  rad set to 1.9, chg 0
 2661 GLY   H  unknown type.  rad set to 1.9, chg 0
 2663 GLY  C   unknown type.  rad set to 1.9, chg 0
 2664 GLY  O   unknown type.  rad set to 1.9, chg 0
 2665 THR  N   unknown type.  rad set to 1.9, chg 0
 2666 THR   H  unknown type.  rad set to 1.9, chg 0
 2670 THR   HG1unknown type.  rad set to 1.9, chg 0
 2672 THR  C   unknown type.  rad set to 1.9, chg 0
 2673 THR  O   unknown type.  rad set to 1.9, chg 0
 2674 VAL  N   unknown type.  rad set to 1.9, chg 0
 2675 VAL   H  unknown type.  rad set to 1.9, chg 0
 2680 VAL  C   unknown type.  rad set to 1.9, chg 0
 2681 VAL  O   unknown type.  rad set to 1.9, chg 0
 2682 VAL  N   unknown type.  rad set to 1.9, chg 0
 2683 VAL   H  unknown type.  rad set to 1.9, chg 0
 2688 VAL  C   unknown type.  rad set to 1.9, chg 0
 2689 VAL  O   unknown type.  rad set to 1.9, chg 0
 2690 ARG  N   unknown type.  rad set to 1.9, chg 0
 2691 ARG   H  unknown type.  rad set to 1.9, chg 0
 2697 ARG   HE unknown type.  rad set to 1.9, chg 0
 2700 ARG  1HH1unknown type.  rad set to 1.9, chg 0
 2701 ARG  2HH1unknown type.  rad set to 1.9, chg 0
 2703 ARG  1HH2unknown type.  rad set to 1.9, chg 0
 2704 ARG  2HH2unknown type.  rad set to 1.9, chg 0
 2705 ARG  C   unknown type.  rad set to 1.9, chg 0
 2706 ARG  O   unknown type.  rad set to 1.9, chg 0
 2707 LYS  N   unknown type.  rad set to 1.9, chg 0
 2708 LYS   H  unknown type.  rad set to 1.9, chg 0
 2715 LYS   HZ1unknown type.  rad set to 1.9, chg 0
 2716 LYS   HZ2unknown type.  rad set to 1.9, chg 0
 2717 LYS   HZ3unknown type.  rad set to 1.9, chg 0
 2718 LYS  C   unknown type.  rad set to 1.9, chg 0
 2719 LYS  O   unknown type.  rad set to 1.9, chg 0
 2720 TRP  N   unknown type.  rad set to 1.9, chg 0
 2721 TRP   H  unknown type.  rad set to 1.9, chg 0
 2726 TRP   HD1unknown type.  rad set to 1.9, chg 0
 2729 TRP   HE1unknown type.  rad set to 1.9, chg 0
 2732 TRP   HE3unknown type.  rad set to 1.9, chg 0
 2734 TRP   HZ2unknown type.  rad set to 1.9, chg 0
 2736 TRP   HZ3unknown type.  rad set to 1.9, chg 0
 2738 TRP   HH2unknown type.  rad set to 1.9, chg 0
 2739 TRP  C   unknown type.  rad set to 1.9, chg 0
 2740 TRP  O   unknown type.  rad set to 1.9, chg 0
 2741 SER  N   unknown type.  rad set to 1.9, chg 0
 2742 SER   H  unknown type.  rad set to 1.9, chg 0
 2746 SER   HG unknown type.  rad set to 1.9, chg 0
 2747 SER  C   unknown type.  rad set to 1.9, chg 0
 2748 SER  O   unknown type.  rad set to 1.9, chg 0
 2749 GLY  N   unknown type.  rad set to 1.9, chg 0
 2750 GLY   H  unknown type.  rad set to 1.9, chg 0
 2752 GLY  C   unknown type.  rad set to 1.9, chg 0
 2753 GLY  O   unknown type.  rad set to 1.9, chg 0
 2754 GLU  N   unknown type.  rad set to 1.9, chg 0
 2755 GLU   H  unknown type.  rad set to 1.9, chg 0
 2762 GLU  C   unknown type.  rad set to 1.9, chg 0
 2763 GLU  O   unknown type.  rad set to 1.9, chg 0
 2764 LYS  N   unknown type.  rad set to 1.9, chg 0
 2765 LYS   H  unknown type.  rad set to 1.9, chg 0
 2772 LYS   HZ1unknown type.  rad set to 1.9, chg 0
 2773 LYS   HZ2unknown type.  rad set to 1.9, chg 0
 2774 LYS   HZ3unknown type.  rad set to 1.9, chg 0
 2775 LYS  C   unknown type.  rad set to 1.9, chg 0
 2776 LYS  O   unknown type.  rad set to 1.9, chg 0
 2777 MET  N   unknown type.  rad set to 1.9, chg 0
 2778 MET   H  unknown type.  rad set to 1.9, chg 0
 2784 MET  C   unknown type.  rad set to 1.9, chg 0
 2785 MET  O   unknown type.  rad set to 1.9, chg 0
 2786 SER  N   unknown type.  rad set to 1.9, chg 0
 2787 SER   H  unknown type.  rad set to 1.9, chg 0
 2791 SER   HG unknown type.  rad set to 1.9, chg 0
 2792 SER  C   unknown type.  rad set to 1.9, chg 0
 2793 SER  O   unknown type.  rad set to 1.9, chg 0
 2794 TYR  N   unknown type.  rad set to 1.9, chg 0
 2795 TYR   H  unknown type.  rad set to 1.9, chg 0
 2800 TYR   HD1unknown type.  rad set to 1.9, chg 0
 2802 TYR   HD2unknown type.  rad set to 1.9, chg 0
 2804 TYR   HE1unknown type.  rad set to 1.9, chg 0
 2806 TYR   HE2unknown type.  rad set to 1.9, chg 0
 2809 TYR   HH unknown type.  rad set to 1.9, chg 0
 2810 TYR  C   unknown type.  rad set to 1.9, chg 0
 2811 TYR  O   unknown type.  rad set to 1.9, chg 0
 2812 LEU  N   unknown type.  rad set to 1.9, chg 0
 2813 LEU   H  unknown type.  rad set to 1.9, chg 0
 2819 LEU  C   unknown type.  rad set to 1.9, chg 0
 2820 LEU  O   unknown type.  rad set to 1.9, chg 0
 2821 LYS  N   unknown type.  rad set to 1.9, chg 0
 2822 LYS   H  unknown type.  rad set to 1.9, chg 0
 2829 LYS   HZ1unknown type.  rad set to 1.9, chg 0
 2830 LYS   HZ2unknown type.  rad set to 1.9, chg 0
 2831 LYS   HZ3unknown type.  rad set to 1.9, chg 0
 2832 LYS  C   unknown type.  rad set to 1.9, chg 0
 2833 LYS  O   unknown type.  rad set to 1.9, chg 0
 2834 ASN  N   unknown type.  rad set to 1.9, chg 0
 2835 ASN   H  unknown type.  rad set to 1.9, chg 0
 2841 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 2842 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 2843 ASN  C   unknown type.  rad set to 1.9, chg 0
 2844 ASN  O   unknown type.  rad set to 1.9, chg 0
 2845 TRP  N   unknown type.  rad set to 1.9, chg 0
 2846 TRP   H  unknown type.  rad set to 1.9, chg 0
 2851 TRP   HD1unknown type.  rad set to 1.9, chg 0
 2854 TRP   HE1unknown type.  rad set to 1.9, chg 0
 2857 TRP   HE3unknown type.  rad set to 1.9, chg 0
 2859 TRP   HZ2unknown type.  rad set to 1.9, chg 0
 2861 TRP   HZ3unknown type.  rad set to 1.9, chg 0
 2863 TRP   HH2unknown type.  rad set to 1.9, chg 0
 2864 TRP  C   unknown type.  rad set to 1.9, chg 0
 2865 TRP  O   unknown type.  rad set to 1.9, chg 0
 2866 GLY  N   unknown type.  rad set to 1.9, chg 0
 2867 GLY   H  unknown type.  rad set to 1.9, chg 0
 2869 GLY  C   unknown type.  rad set to 1.9, chg 0
 2870 GLY  O   unknown type.  rad set to 1.9, chg 0
 2871 GLU  N   unknown type.  rad set to 1.9, chg 0
 2872 GLU   H  unknown type.  rad set to 1.9, chg 0
 2879 GLU  C   unknown type.  rad set to 1.9, chg 0
 2880 GLU  O   unknown type.  rad set to 1.9, chg 0
 2881 GLY  N   unknown type.  rad set to 1.9, chg 0
 2882 GLY   H  unknown type.  rad set to 1.9, chg 0
 2884 GLY  C   unknown type.  rad set to 1.9, chg 0
 2885 GLY  O   unknown type.  rad set to 1.9, chg 0
 2886 TRP  N   unknown type.  rad set to 1.9, chg 0
 2887 TRP   H  unknown type.  rad set to 1.9, chg 0
 2892 TRP   HD1unknown type.  rad set to 1.9, chg 0
 2895 TRP   HE1unknown type.  rad set to 1.9, chg 0
 2898 TRP   HE3unknown type.  rad set to 1.9, chg 0
 2900 TRP   HZ2unknown type.  rad set to 1.9, chg 0
 2902 TRP   HZ3unknown type.  rad set to 1.9, chg 0
 2904 TRP   HH2unknown type.  rad set to 1.9, chg 0
 2905 TRP  C   unknown type.  rad set to 1.9, chg 0
 2906 TRP  O   unknown type.  rad set to 1.9, chg 0
 2907 GLY  N   unknown type.  rad set to 1.9, chg 0
 2908 GLY   H  unknown type.  rad set to 1.9, chg 0
 2910 GLY  C   unknown type.  rad set to 1.9, chg 0
 2911 GLY  O   unknown type.  rad set to 1.9, chg 0
 2912 PHE  N   unknown type.  rad set to 1.9, chg 0
 2913 PHE   H  unknown type.  rad set to 1.9, chg 0
 2918 PHE   HD1unknown type.  rad set to 1.9, chg 0
 2920 PHE   HD2unknown type.  rad set to 1.9, chg 0
 2922 PHE   HE1unknown type.  rad set to 1.9, chg 0
 2924 PHE   HE2unknown type.  rad set to 1.9, chg 0
 2926 PHE   HZ unknown type.  rad set to 1.9, chg 0
 2927 PHE  C   unknown type.  rad set to 1.9, chg 0
 2928 PHE  O   unknown type.  rad set to 1.9, chg 0
 2929 MET  N   unknown type.  rad set to 1.9, chg 0
 2930 MET   H  unknown type.  rad set to 1.9, chg 0
 2936 MET  C   unknown type.  rad set to 1.9, chg 0
 2937 MET  O   unknown type.  rad set to 1.9, chg 0
 2938 PRO  N   unknown type.  rad set to 1.9, chg 0
 2943 PRO  C   unknown type.  rad set to 1.9, chg 0
 2944 PRO  O   unknown type.  rad set to 1.9, chg 0
 2945 SER  N   unknown type.  rad set to 1.9, chg 0
 2946 SER   H  unknown type.  rad set to 1.9, chg 0
 2950 SER   HG unknown type.  rad set to 1.9, chg 0
 2951 SER  C   unknown type.  rad set to 1.9, chg 0
 2952 SER  O   unknown type.  rad set to 1.9, chg 0
 2953 ASP  N   unknown type.  rad set to 1.9, chg 0
 2954 ASP   H  unknown type.  rad set to 1.9, chg 0
 2960 ASP  C   unknown type.  rad set to 1.9, chg 0
 2961 ASP  O   unknown type.  rad set to 1.9, chg 0
 2962 ARG  N   unknown type.  rad set to 1.9, chg 0
 2963 ARG   H  unknown type.  rad set to 1.9, chg 0
 2969 ARG   HE unknown type.  rad set to 1.9, chg 0
 2972 ARG  1HH1unknown type.  rad set to 1.9, chg 0
 2973 ARG  2HH1unknown type.  rad set to 1.9, chg 0
 2975 ARG  1HH2unknown type.  rad set to 1.9, chg 0
 2976 ARG  2HH2unknown type.  rad set to 1.9, chg 0
 2977 ARG  C   unknown type.  rad set to 1.9, chg 0
 2978 ARG  O   unknown type.  rad set to 1.9, chg 0
 2979 ALA  N   unknown type.  rad set to 1.9, chg 0
 2980 ALA   H  unknown type.  rad set to 1.9, chg 0
 2983 ALA  C   unknown type.  rad set to 1.9, chg 0
 2984 ALA  O   unknown type.  rad set to 1.9, chg 0
 2985 LEU  N   unknown type.  rad set to 1.9, chg 0
 2986 LEU   H  unknown type.  rad set to 1.9, chg 0
 2992 LEU  C   unknown type.  rad set to 1.9, chg 0
 2993 LEU  O   unknown type.  rad set to 1.9, chg 0
 2994 VAL  N   unknown type.  rad set to 1.9, chg 0
 2995 VAL   H  unknown type.  rad set to 1.9, chg 0
 3000 VAL  C   unknown type.  rad set to 1.9, chg 0
 3001 VAL  O   unknown type.  rad set to 1.9, chg 0
 3002 PHE  N   unknown type.  rad set to 1.9, chg 0
 3003 PHE   H  unknown type.  rad set to 1.9, chg 0
 3008 PHE   HD1unknown type.  rad set to 1.9, chg 0
 3010 PHE   HD2unknown type.  rad set to 1.9, chg 0
 3012 PHE   HE1unknown type.  rad set to 1.9, chg 0
 3014 PHE   HE2unknown type.  rad set to 1.9, chg 0
 3016 PHE   HZ unknown type.  rad set to 1.9, chg 0
 3017 PHE  C   unknown type.  rad set to 1.9, chg 0
 3018 PHE  O   unknown type.  rad set to 1.9, chg 0
 3019 VAL  N   unknown type.  rad set to 1.9, chg 0
 3020 VAL   H  unknown type.  rad set to 1.9, chg 0
 3025 VAL  C   unknown type.  rad set to 1.9, chg 0
 3026 VAL  O   unknown type.  rad set to 1.9, chg 0
 3027 ASP  N   unknown type.  rad set to 1.9, chg 0
 3028 ASP   H  unknown type.  rad set to 1.9, chg 0
 3034 ASP  C   unknown type.  rad set to 1.9, chg 0
 3035 ASP  O   unknown type.  rad set to 1.9, chg 0
 3036 ASN  N   unknown type.  rad set to 1.9, chg 0
 3037 ASN   H  unknown type.  rad set to 1.9, chg 0
 3043 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 3044 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 3045 ASN  C   unknown type.  rad set to 1.9, chg 0
 3046 ASN  O   unknown type.  rad set to 1.9, chg 0
 3047 HIS  N   unknown type.  rad set to 1.9, chg 0
 3048 HIS   H  unknown type.  rad set to 1.9, chg 0
 3054 HIS   HD2unknown type.  rad set to 1.9, chg 0
 3056 HIS   HE1unknown type.  rad set to 1.9, chg 0
 3058 HIS   HE2unknown type.  rad set to 1.9, chg 0
 3059 HIS  C   unknown type.  rad set to 1.9, chg 0
 3060 HIS  O   unknown type.  rad set to 1.9, chg 0
 3061 ASP  N   unknown type.  rad set to 1.9, chg 0
 3062 ASP   H  unknown type.  rad set to 1.9, chg 0
 3068 ASP  C   unknown type.  rad set to 1.9, chg 0
 3069 ASP  O   unknown type.  rad set to 1.9, chg 0
 3070 ASN  N   unknown type.  rad set to 1.9, chg 0
 3071 ASN   H  unknown type.  rad set to 1.9, chg 0
 3077 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 3078 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 3079 ASN  C   unknown type.  rad set to 1.9, chg 0
 3080 ASN  O   unknown type.  rad set to 1.9, chg 0
 3081 GLN  N   unknown type.  rad set to 1.9, chg 0
 3082 GLN   H  unknown type.  rad set to 1.9, chg 0
 3089 GLN  1HE2unknown type.  rad set to 1.9, chg 0
 3090 GLN  2HE2unknown type.  rad set to 1.9, chg 0
 3091 GLN  C   unknown type.  rad set to 1.9, chg 0
 3092 GLN  O   unknown type.  rad set to 1.9, chg 0
 3093 ARG  N   unknown type.  rad set to 1.9, chg 0
 3094 ARG   H  unknown type.  rad set to 1.9, chg 0
 3100 ARG   HE unknown type.  rad set to 1.9, chg 0
 3103 ARG  1HH1unknown type.  rad set to 1.9, chg 0
 3104 ARG  2HH1unknown type.  rad set to 1.9, chg 0
 3106 ARG  1HH2unknown type.  rad set to 1.9, chg 0
 3107 ARG  2HH2unknown type.  rad set to 1.9, chg 0
 3108 ARG  C   unknown type.  rad set to 1.9, chg 0
 3109 ARG  O   unknown type.  rad set to 1.9, chg 0
 3110 GLY  N   unknown type.  rad set to 1.9, chg 0
 3111 GLY   H  unknown type.  rad set to 1.9, chg 0
 3113 GLY  C   unknown type.  rad set to 1.9, chg 0
 3114 GLY  O   unknown type.  rad set to 1.9, chg 0
 3115 HIS  N   unknown type.  rad set to 1.9, chg 0
 3116 HIS   H  unknown type.  rad set to 1.9, chg 0
 3122 HIS   HD2unknown type.  rad set to 1.9, chg 0
 3124 HIS   HE1unknown type.  rad set to 1.9, chg 0
 3126 HIS   HE2unknown type.  rad set to 1.9, chg 0
 3127 HIS  C   unknown type.  rad set to 1.9, chg 0
 3128 HIS  O   unknown type.  rad set to 1.9, chg 0
 3129 GLY  N   unknown type.  rad set to 1.9, chg 0
 3130 GLY   H  unknown type.  rad set to 1.9, chg 0
 3132 GLY  C   unknown type.  rad set to 1.9, chg 0
 3133 GLY  O   unknown type.  rad set to 1.9, chg 0
 3134 ALA  N   unknown type.  rad set to 1.9, chg 0
 3135 ALA   H  unknown type.  rad set to 1.9, chg 0
 3138 ALA  C   unknown type.  rad set to 1.9, chg 0
 3139 ALA  O   unknown type.  rad set to 1.9, chg 0
 3140 GLY  N   unknown type.  rad set to 1.9, chg 0
 3141 GLY   H  unknown type.  rad set to 1.9, chg 0
 3143 GLY  C   unknown type.  rad set to 1.9, chg 0
 3144 GLY  O   unknown type.  rad set to 1.9, chg 0
 3145 GLY  N   unknown type.  rad set to 1.9, chg 0
 3146 GLY   H  unknown type.  rad set to 1.9, chg 0
 3148 GLY  C   unknown type.  rad set to 1.9, chg 0
 3149 GLY  O   unknown type.  rad set to 1.9, chg 0
 3150 ALA  N   unknown type.  rad set to 1.9, chg 0
 3151 ALA   H  unknown type.  rad set to 1.9, chg 0
 3154 ALA  C   unknown type.  rad set to 1.9, chg 0
 3155 ALA  O   unknown type.  rad set to 1.9, chg 0
 3156 SER  N   unknown type.  rad set to 1.9, chg 0
 3157 SER   H  unknown type.  rad set to 1.9, chg 0
 3161 SER   HG unknown type.  rad set to 1.9, chg 0
 3162 SER  C   unknown type.  rad set to 1.9, chg 0
 3163 SER  O   unknown type.  rad set to 1.9, chg 0
 3164 ILE  N   unknown type.  rad set to 1.9, chg 0
 3165 ILE   H  unknown type.  rad set to 1.9, chg 0
 3170 ILE   CD unknown type.  rad set to 1.9, chg 0
 3171 ILE  C   unknown type.  rad set to 1.9, chg 0
 3172 ILE  O   unknown type.  rad set to 1.9, chg 0
 3173 LEU  N   unknown type.  rad set to 1.9, chg 0
 3174 LEU   H  unknown type.  rad set to 1.9, chg 0
 3180 LEU  C   unknown type.  rad set to 1.9, chg 0
 3181 LEU  O   unknown type.  rad set to 1.9, chg 0
 3182 THR  N   unknown type.  rad set to 1.9, chg 0
 3183 THR   H  unknown type.  rad set to 1.9, chg 0
 3187 THR   HG1unknown type.  rad set to 1.9, chg 0
 3189 THR  C   unknown type.  rad set to 1.9, chg 0
 3190 THR  O   unknown type.  rad set to 1.9, chg 0
 3191 PHE  N   unknown type.  rad set to 1.9, chg 0
 3192 PHE   H  unknown type.  rad set to 1.9, chg 0
 3197 PHE   HD1unknown type.  rad set to 1.9, chg 0
 3199 PHE   HD2unknown type.  rad set to 1.9, chg 0
 3201 PHE   HE1unknown type.  rad set to 1.9, chg 0
 3203 PHE   HE2unknown type.  rad set to 1.9, chg 0
 3205 PHE   HZ unknown type.  rad set to 1.9, chg 0
 3206 PHE  C   unknown type.  rad set to 1.9, chg 0
 3207 PHE  O   unknown type.  rad set to 1.9, chg 0
 3208 TRP  N   unknown type.  rad set to 1.9, chg 0
 3209 TRP   H  unknown type.  rad set to 1.9, chg 0
 3214 TRP   HD1unknown type.  rad set to 1.9, chg 0
 3217 TRP   HE1unknown type.  rad set to 1.9, chg 0
 3220 TRP   HE3unknown type.  rad set to 1.9, chg 0
 3222 TRP   HZ2unknown type.  rad set to 1.9, chg 0
 3224 TRP   HZ3unknown type.  rad set to 1.9, chg 0
 3226 TRP   HH2unknown type.  rad set to 1.9, chg 0
 3227 TRP  C   unknown type.  rad set to 1.9, chg 0
 3228 TRP  O   unknown type.  rad set to 1.9, chg 0
 3229 ASP  N   unknown type.  rad set to 1.9, chg 0
 3230 ASP   H  unknown type.  rad set to 1.9, chg 0
 3236 ASP  C   unknown type.  rad set to 1.9, chg 0
 3237 ASP  O   unknown type.  rad set to 1.9, chg 0
 3238 ALA  N   unknown type.  rad set to 1.9, chg 0
 3239 ALA   H  unknown type.  rad set to 1.9, chg 0
 3242 ALA  C   unknown type.  rad set to 1.9, chg 0
 3243 ALA  O   unknown type.  rad set to 1.9, chg 0
 3244 ARG  N   unknown type.  rad set to 1.9, chg 0
 3245 ARG   H  unknown type.  rad set to 1.9, chg 0
 3251 ARG   HE unknown type.  rad set to 1.9, chg 0
 3254 ARG  1HH1unknown type.  rad set to 1.9, chg 0
 3255 ARG  2HH1unknown type.  rad set to 1.9, chg 0
 3257 ARG  1HH2unknown type.  rad set to 1.9, chg 0
 3258 ARG  2HH2unknown type.  rad set to 1.9, chg 0
 3259 ARG  C   unknown type.  rad set to 1.9, chg 0
 3260 ARG  O   unknown type.  rad set to 1.9, chg 0
 3261 LEU  N   unknown type.  rad set to 1.9, chg 0
 3262 LEU   H  unknown type.  rad set to 1.9, chg 0
 3268 LEU  C   unknown type.  rad set to 1.9, chg 0
 3269 LEU  O   unknown type.  rad set to 1.9, chg 0
 3270 TYR  N   unknown type.  rad set to 1.9, chg 0
 3271 TYR   H  unknown type.  rad set to 1.9, chg 0
 3276 TYR   HD1unknown type.  rad set to 1.9, chg 0
 3278 TYR   HD2unknown type.  rad set to 1.9, chg 0
 3280 TYR   HE1unknown type.  rad set to 1.9, chg 0
 3282 TYR   HE2unknown type.  rad set to 1.9, chg 0
 3285 TYR   HH unknown type.  rad set to 1.9, chg 0
 3286 TYR  C   unknown type.  rad set to 1.9, chg 0
 3287 TYR  O   unknown type.  rad set to 1.9, chg 0
 3288 LYS  N   unknown type.  rad set to 1.9, chg 0
 3289 LYS   H  unknown type.  rad set to 1.9, chg 0
 3296 LYS   HZ1unknown type.  rad set to 1.9, chg 0
 3297 LYS   HZ2unknown type.  rad set to 1.9, chg 0
 3298 LYS   HZ3unknown type.  rad set to 1.9, chg 0
 3299 LYS  C   unknown type.  rad set to 1.9, chg 0
 3300 LYS  O   unknown type.  rad set to 1.9, chg 0
 3301 VAL  N   unknown type.  rad set to 1.9, chg 0
 3302 VAL   H  unknown type.  rad set to 1.9, chg 0
 3307 VAL  C   unknown type.  rad set to 1.9, chg 0
 3308 VAL  O   unknown type.  rad set to 1.9, chg 0
 3309 ALA  N   unknown type.  rad set to 1.9, chg 0
 3310 ALA   H  unknown type.  rad set to 1.9, chg 0
 3313 ALA  C   unknown type.  rad set to 1.9, chg 0
 3314 ALA  O   unknown type.  rad set to 1.9, chg 0
 3315 VAL  N   unknown type.  rad set to 1.9, chg 0
 3316 VAL   H  unknown type.  rad set to 1.9, chg 0
 3321 VAL  C   unknown type.  rad set to 1.9, chg 0
 3322 VAL  O   unknown type.  rad set to 1.9, chg 0
 3323 GLY  N   unknown type.  rad set to 1.9, chg 0
 3324 GLY   H  unknown type.  rad set to 1.9, chg 0
 3326 GLY  C   unknown type.  rad set to 1.9, chg 0
 3327 GLY  O   unknown type.  rad set to 1.9, chg 0
 3328 PHE  N   unknown type.  rad set to 1.9, chg 0
 3329 PHE   H  unknown type.  rad set to 1.9, chg 0
 3334 PHE   HD1unknown type.  rad set to 1.9, chg 0
 3336 PHE   HD2unknown type.  rad set to 1.9, chg 0
 3338 PHE   HE1unknown type.  rad set to 1.9, chg 0
 3340 PHE   HE2unknown type.  rad set to 1.9, chg 0
 3342 PHE   HZ unknown type.  rad set to 1.9, chg 0
 3343 PHE  C   unknown type.  rad set to 1.9, chg 0
 3344 PHE  O   unknown type.  rad set to 1.9, chg 0
 3345 MET  N   unknown type.  rad set to 1.9, chg 0
 3346 MET   H  unknown type.  rad set to 1.9, chg 0
 3352 MET  C   unknown type.  rad set to 1.9, chg 0
 3353 MET  O   unknown type.  rad set to 1.9, chg 0
 3354 LEU  N   unknown type.  rad set to 1.9, chg 0
 3355 LEU   H  unknown type.  rad set to 1.9, chg 0
 3361 LEU  C   unknown type.  rad set to 1.9, chg 0
 3362 LEU  O   unknown type.  rad set to 1.9, chg 0
 3363 ALA  N   unknown type.  rad set to 1.9, chg 0
 3364 ALA   H  unknown type.  rad set to 1.9, chg 0
 3367 ALA  C   unknown type.  rad set to 1.9, chg 0
 3368 ALA  O   unknown type.  rad set to 1.9, chg 0
 3369 HIS  N   unknown type.  rad set to 1.9, chg 0
 3370 HIS   H  unknown type.  rad set to 1.9, chg 0
 3376 HIS   HD2unknown type.  rad set to 1.9, chg 0
 3378 HIS   HE1unknown type.  rad set to 1.9, chg 0
 3380 HIS   HE2unknown type.  rad set to 1.9, chg 0
 3381 HIS  C   unknown type.  rad set to 1.9, chg 0
 3382 HIS  O   unknown type.  rad set to 1.9, chg 0
 3383 PRO  N   unknown type.  rad set to 1.9, chg 0
 3388 PRO  C   unknown type.  rad set to 1.9, chg 0
 3389 PRO  O   unknown type.  rad set to 1.9, chg 0
 3390 TYR  N   unknown type.  rad set to 1.9, chg 0
 3391 TYR   H  unknown type.  rad set to 1.9, chg 0
 3396 TYR   HD1unknown type.  rad set to 1.9, chg 0
 3398 TYR   HD2unknown type.  rad set to 1.9, chg 0
 3400 TYR   HE1unknown type.  rad set to 1.9, chg 0
 3402 TYR   HE2unknown type.  rad set to 1.9, chg 0
 3405 TYR   HH unknown type.  rad set to 1.9, chg 0
 3406 TYR  C   unknown type.  rad set to 1.9, chg 0
 3407 TYR  O   unknown type.  rad set to 1.9, chg 0
 3408 GLY  N   unknown type.  rad set to 1.9, chg 0
 3409 GLY   H  unknown type.  rad set to 1.9, chg 0
 3411 GLY  C   unknown type.  rad set to 1.9, chg 0
 3412 GLY  O   unknown type.  rad set to 1.9, chg 0
 3413 PHE  N   unknown type.  rad set to 1.9, chg 0
 3414 PHE   H  unknown type.  rad set to 1.9, chg 0
 3419 PHE   HD1unknown type.  rad set to 1.9, chg 0
 3421 PHE   HD2unknown type.  rad set to 1.9, chg 0
 3423 PHE   HE1unknown type.  rad set to 1.9, chg 0
 3425 PHE   HE2unknown type.  rad set to 1.9, chg 0
 3427 PHE   HZ unknown type.  rad set to 1.9, chg 0
 3428 PHE  C   unknown type.  rad set to 1.9, chg 0
 3429 PHE  O   unknown type.  rad set to 1.9, chg 0
 3430 THR  N   unknown type.  rad set to 1.9, chg 0
 3431 THR   H  unknown type.  rad set to 1.9, chg 0
 3435 THR   HG1unknown type.  rad set to 1.9, chg 0
 3437 THR  C   unknown type.  rad set to 1.9, chg 0
 3438 THR  O   unknown type.  rad set to 1.9, chg 0
 3439 ARG  N   unknown type.  rad set to 1.9, chg 0
 3440 ARG   H  unknown type.  rad set to 1.9, chg 0
 3446 ARG   HE unknown type.  rad set to 1.9, chg 0
 3449 ARG  1HH1unknown type.  rad set to 1.9, chg 0
 3450 ARG  2HH1unknown type.  rad set to 1.9, chg 0
 3452 ARG  1HH2unknown type.  rad set to 1.9, chg 0
 3453 ARG  2HH2unknown type.  rad set to 1.9, chg 0
 3454 ARG  C   unknown type.  rad set to 1.9, chg 0
 3455 ARG  O   unknown type.  rad set to 1.9, chg 0
 3456 VAL  N   unknown type.  rad set to 1.9, chg 0
 3457 VAL   H  unknown type.  rad set to 1.9, chg 0
 3462 VAL  C   unknown type.  rad set to 1.9, chg 0
 3463 VAL  O   unknown type.  rad set to 1.9, chg 0
 3464 MET  N   unknown type.  rad set to 1.9, chg 0
 3465 MET   H  unknown type.  rad set to 1.9, chg 0
 3471 MET  C   unknown type.  rad set to 1.9, chg 0
 3472 MET  O   unknown type.  rad set to 1.9, chg 0
 3473 SER  N   unknown type.  rad set to 1.9, chg 0
 3474 SER   H  unknown type.  rad set to 1.9, chg 0
 3478 SER   HG unknown type.  rad set to 1.9, chg 0
 3479 SER  C   unknown type.  rad set to 1.9, chg 0
 3480 SER  O   unknown type.  rad set to 1.9, chg 0
 3481 SER  N   unknown type.  rad set to 1.9, chg 0
 3482 SER   H  unknown type.  rad set to 1.9, chg 0
 3486 SER   HG unknown type.  rad set to 1.9, chg 0
 3487 SER  C   unknown type.  rad set to 1.9, chg 0
 3488 SER  O   unknown type.  rad set to 1.9, chg 0
 3489 TYR  N   unknown type.  rad set to 1.9, chg 0
 3490 TYR   H  unknown type.  rad set to 1.9, chg 0
 3495 TYR   HD1unknown type.  rad set to 1.9, chg 0
 3497 TYR   HD2unknown type.  rad set to 1.9, chg 0
 3499 TYR   HE1unknown type.  rad set to 1.9, chg 0
 3501 TYR   HE2unknown type.  rad set to 1.9, chg 0
 3504 TYR   HH unknown type.  rad set to 1.9, chg 0
 3505 TYR  C   unknown type.  rad set to 1.9, chg 0
 3506 TYR  O   unknown type.  rad set to 1.9, chg 0
 3507 ARG  N   unknown type.  rad set to 1.9, chg 0
 3508 ARG   H  unknown type.  rad set to 1.9, chg 0
 3514 ARG   HE unknown type.  rad set to 1.9, chg 0
 3517 ARG  1HH1unknown type.  rad set to 1.9, chg 0
 3518 ARG  2HH1unknown type.  rad set to 1.9, chg 0
 3520 ARG  1HH2unknown type.  rad set to 1.9, chg 0
 3521 ARG  2HH2unknown type.  rad set to 1.9, chg 0
 3522 ARG  C   unknown type.  rad set to 1.9, chg 0
 3523 ARG  O   unknown type.  rad set to 1.9, chg 0
 3524 TRP  N   unknown type.  rad set to 1.9, chg 0
 3525 TRP   H  unknown type.  rad set to 1.9, chg 0
 3530 TRP   HD1unknown type.  rad set to 1.9, chg 0
 3533 TRP   HE1unknown type.  rad set to 1.9, chg 0
 3536 TRP   HE3unknown type.  rad set to 1.9, chg 0
 3538 TRP   HZ2unknown type.  rad set to 1.9, chg 0
 3540 TRP   HZ3unknown type.  rad set to 1.9, chg 0
 3542 TRP   HH2unknown type.  rad set to 1.9, chg 0
 3543 TRP  C   unknown type.  rad set to 1.9, chg 0
 3544 TRP  O   unknown type.  rad set to 1.9, chg 0
 3545 ALA  N   unknown type.  rad set to 1.9, chg 0
 3546 ALA   H  unknown type.  rad set to 1.9, chg 0
 3549 ALA  C   unknown type.  rad set to 1.9, chg 0
 3550 ALA  O   unknown type.  rad set to 1.9, chg 0
 3551 ARG  N   unknown type.  rad set to 1.9, chg 0
 3552 ARG   H  unknown type.  rad set to 1.9, chg 0
 3558 ARG   HE unknown type.  rad set to 1.9, chg 0
 3561 ARG  1HH1unknown type.  rad set to 1.9, chg 0
 3562 ARG  2HH1unknown type.  rad set to 1.9, chg 0
 3564 ARG  1HH2unknown type.  rad set to 1.9, chg 0
 3565 ARG  2HH2unknown type.  rad set to 1.9, chg 0
 3566 ARG  C   unknown type.  rad set to 1.9, chg 0
 3567 ARG  O   unknown type.  rad set to 1.9, chg 0
 3568 ASN  N   unknown type.  rad set to 1.9, chg 0
 3569 ASN   H  unknown type.  rad set to 1.9, chg 0
 3575 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 3576 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 3577 ASN  C   unknown type.  rad set to 1.9, chg 0
 3578 ASN  O   unknown type.  rad set to 1.9, chg 0
 3579 PHE  N   unknown type.  rad set to 1.9, chg 0
 3580 PHE   H  unknown type.  rad set to 1.9, chg 0
 3585 PHE   HD1unknown type.  rad set to 1.9, chg 0
 3587 PHE   HD2unknown type.  rad set to 1.9, chg 0
 3589 PHE   HE1unknown type.  rad set to 1.9, chg 0
 3591 PHE   HE2unknown type.  rad set to 1.9, chg 0
 3593 PHE   HZ unknown type.  rad set to 1.9, chg 0
 3594 PHE  C   unknown type.  rad set to 1.9, chg 0
 3595 PHE  O   unknown type.  rad set to 1.9, chg 0
 3596 VAL  N   unknown type.  rad set to 1.9, chg 0
 3597 VAL   H  unknown type.  rad set to 1.9, chg 0
 3602 VAL  C   unknown type.  rad set to 1.9, chg 0
 3603 VAL  O   unknown type.  rad set to 1.9, chg 0
 3604 ASN  N   unknown type.  rad set to 1.9, chg 0
 3605 ASN   H  unknown type.  rad set to 1.9, chg 0
 3611 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 3612 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 3613 ASN  C   unknown type.  rad set to 1.9, chg 0
 3614 ASN  O   unknown type.  rad set to 1.9, chg 0
 3615 GLY  N   unknown type.  rad set to 1.9, chg 0
 3616 GLY   H  unknown type.  rad set to 1.9, chg 0
 3618 GLY  C   unknown type.  rad set to 1.9, chg 0
 3619 GLY  O   unknown type.  rad set to 1.9, chg 0
 3620 GLU  N   unknown type.  rad set to 1.9, chg 0
 3621 GLU   H  unknown type.  rad set to 1.9, chg 0
 3628 GLU  C   unknown type.  rad set to 1.9, chg 0
 3629 GLU  O   unknown type.  rad set to 1.9, chg 0
 3630 ASP  N   unknown type.  rad set to 1.9, chg 0
 3631 ASP   H  unknown type.  rad set to 1.9, chg 0
 3637 ASP  C   unknown type.  rad set to 1.9, chg 0
 3638 ASP  O   unknown type.  rad set to 1.9, chg 0
 3639 VAL  N   unknown type.  rad set to 1.9, chg 0
 3640 VAL   H  unknown type.  rad set to 1.9, chg 0
 3645 VAL  C   unknown type.  rad set to 1.9, chg 0
 3646 VAL  O   unknown type.  rad set to 1.9, chg 0
 3647 ASN  N   unknown type.  rad set to 1.9, chg 0
 3648 ASN   H  unknown type.  rad set to 1.9, chg 0
 3654 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 3655 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 3656 ASN  C   unknown type.  rad set to 1.9, chg 0
 3657 ASN  O   unknown type.  rad set to 1.9, chg 0
 3658 ASP  N   unknown type.  rad set to 1.9, chg 0
 3659 ASP   H  unknown type.  rad set to 1.9, chg 0
 3665 ASP  C   unknown type.  rad set to 1.9, chg 0
 3666 ASP  O   unknown type.  rad set to 1.9, chg 0
 3667 TRP  N   unknown type.  rad set to 1.9, chg 0
 3668 TRP   H  unknown type.  rad set to 1.9, chg 0
 3673 TRP   HD1unknown type.  rad set to 1.9, chg 0
 3676 TRP   HE1unknown type.  rad set to 1.9, chg 0
 3679 TRP   HE3unknown type.  rad set to 1.9, chg 0
 3681 TRP   HZ2unknown type.  rad set to 1.9, chg 0
 3683 TRP   HZ3unknown type.  rad set to 1.9, chg 0
 3685 TRP   HH2unknown type.  rad set to 1.9, chg 0
 3686 TRP  C   unknown type.  rad set to 1.9, chg 0
 3687 TRP  O   unknown type.  rad set to 1.9, chg 0
 3688 ILE  N   unknown type.  rad set to 1.9, chg 0
 3689 ILE   H  unknown type.  rad set to 1.9, chg 0
 3694 ILE   CD unknown type.  rad set to 1.9, chg 0
 3695 ILE  C   unknown type.  rad set to 1.9, chg 0
 3696 ILE  O   unknown type.  rad set to 1.9, chg 0
 3697 GLY  N   unknown type.  rad set to 1.9, chg 0
 3698 GLY   H  unknown type.  rad set to 1.9, chg 0
 3700 GLY  C   unknown type.  rad set to 1.9, chg 0
 3701 GLY  O   unknown type.  rad set to 1.9, chg 0
 3702 PRO  N   unknown type.  rad set to 1.9, chg 0
 3707 PRO  C   unknown type.  rad set to 1.9, chg 0
 3708 PRO  O   unknown type.  rad set to 1.9, chg 0
 3709 PRO  N   unknown type.  rad set to 1.9, chg 0
 3714 PRO  C   unknown type.  rad set to 1.9, chg 0
 3715 PRO  O   unknown type.  rad set to 1.9, chg 0
 3716 ASN  N   unknown type.  rad set to 1.9, chg 0
 3717 ASN   H  unknown type.  rad set to 1.9, chg 0
 3723 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 3724 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 3725 ASN  C   unknown type.  rad set to 1.9, chg 0
 3726 ASN  O   unknown type.  rad set to 1.9, chg 0
 3727 ASN  N   unknown type.  rad set to 1.9, chg 0
 3728 ASN   H  unknown type.  rad set to 1.9, chg 0
 3734 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 3735 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 3736 ASN  C   unknown type.  rad set to 1.9, chg 0
 3737 ASN  O   unknown type.  rad set to 1.9, chg 0
 3738 ASN  N   unknown type.  rad set to 1.9, chg 0
 3739 ASN   H  unknown type.  rad set to 1.9, chg 0
 3745 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 3746 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 3747 ASN  C   unknown type.  rad set to 1.9, chg 0
 3748 ASN  O   unknown type.  rad set to 1.9, chg 0
 3749 GLY  N   unknown type.  rad set to 1.9, chg 0
 3750 GLY   H  unknown type.  rad set to 1.9, chg 0
 3752 GLY  C   unknown type.  rad set to 1.9, chg 0
 3753 GLY  O   unknown type.  rad set to 1.9, chg 0
 3754 VAL  N   unknown type.  rad set to 1.9, chg 0
 3755 VAL   H  unknown type.  rad set to 1.9, chg 0
 3760 VAL  C   unknown type.  rad set to 1.9, chg 0
 3761 VAL  O   unknown type.  rad set to 1.9, chg 0
 3762 ILE  N   unknown type.  rad set to 1.9, chg 0
 3763 ILE   H  unknown type.  rad set to 1.9, chg 0
 3768 ILE   CD unknown type.  rad set to 1.9, chg 0
 3769 ILE  C   unknown type.  rad set to 1.9, chg 0
 3770 ILE  O   unknown type.  rad set to 1.9, chg 0
 3771 LYS  N   unknown type.  rad set to 1.9, chg 0
 3772 LYS   H  unknown type.  rad set to 1.9, chg 0
 3779 LYS   HZ1unknown type.  rad set to 1.9, chg 0
 3780 LYS   HZ2unknown type.  rad set to 1.9, chg 0
 3781 LYS   HZ3unknown type.  rad set to 1.9, chg 0
 3782 LYS  C   unknown type.  rad set to 1.9, chg 0
 3783 LYS  O   unknown type.  rad set to 1.9, chg 0
 3784 GLU  N   unknown type.  rad set to 1.9, chg 0
 3785 GLU   H  unknown type.  rad set to 1.9, chg 0
 3792 GLU  C   unknown type.  rad set to 1.9, chg 0
 3793 GLU  O   unknown type.  rad set to 1.9, chg 0
 3794 VAL  N   unknown type.  rad set to 1.9, chg 0
 3795 VAL   H  unknown type.  rad set to 1.9, chg 0
 3800 VAL  C   unknown type.  rad set to 1.9, chg 0
 3801 VAL  O   unknown type.  rad set to 1.9, chg 0
 3802 THR  N   unknown type.  rad set to 1.9, chg 0
 3803 THR   H  unknown type.  rad set to 1.9, chg 0
 3807 THR   HG1unknown type.  rad set to 1.9, chg 0
 3809 THR  C   unknown type.  rad set to 1.9, chg 0
 3810 THR  O   unknown type.  rad set to 1.9, chg 0
 3811 ILE  N   unknown type.  rad set to 1.9, chg 0
 3812 ILE   H  unknown type.  rad set to 1.9, chg 0
 3817 ILE   CD unknown type.  rad set to 1.9, chg 0
 3818 ILE  C   unknown type.  rad set to 1.9, chg 0
 3819 ILE  O   unknown type.  rad set to 1.9, chg 0
 3820 ASN  N   unknown type.  rad set to 1.9, chg 0
 3821 ASN   H  unknown type.  rad set to 1.9, chg 0
 3827 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 3828 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 3829 ASN  C   unknown type.  rad set to 1.9, chg 0
 3830 ASN  O   unknown type.  rad set to 1.9, chg 0
 3831 ALA  N   unknown type.  rad set to 1.9, chg 0
 3832 ALA   H  unknown type.  rad set to 1.9, chg 0
 3835 ALA  C   unknown type.  rad set to 1.9, chg 0
 3836 ALA  O   unknown type.  rad set to 1.9, chg 0
 3837 ASP  N   unknown type.  rad set to 1.9, chg 0
 3838 ASP   H  unknown type.  rad set to 1.9, chg 0
 3844 ASP  C   unknown type.  rad set to 1.9, chg 0
 3845 ASP  O   unknown type.  rad set to 1.9, chg 0
 3846 THR  N   unknown type.  rad set to 1.9, chg 0
 3847 THR   H  unknown type.  rad set to 1.9, chg 0
 3851 THR   HG1unknown type.  rad set to 1.9, chg 0
 3853 THR  C   unknown type.  rad set to 1.9, chg 0
 3854 THR  O   unknown type.  rad set to 1.9, chg 0
 3855 THR  N   unknown type.  rad set to 1.9, chg 0
 3856 THR   H  unknown type.  rad set to 1.9, chg 0
 3860 THR   HG1unknown type.  rad set to 1.9, chg 0
 3862 THR  C   unknown type.  rad set to 1.9, chg 0
 3863 THR  O   unknown type.  rad set to 1.9, chg 0
 3864 CYS  N   unknown type.  rad set to 1.9, chg 0
 3865 CYS   H  unknown type.  rad set to 1.9, chg 0
 3869 CYS  C   unknown type.  rad set to 1.9, chg 0
 3870 CYS  O   unknown type.  rad set to 1.9, chg 0
 3871 GLY  N   unknown type.  rad set to 1.9, chg 0
 3872 GLY   H  unknown type.  rad set to 1.9, chg 0
 3874 GLY  C   unknown type.  rad set to 1.9, chg 0
 3875 GLY  O   unknown type.  rad set to 1.9, chg 0
 3876 ASN  N   unknown type.  rad set to 1.9, chg 0
 3877 ASN   H  unknown type.  rad set to 1.9, chg 0
 3883 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 3884 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 3885 ASN  C   unknown type.  rad set to 1.9, chg 0
 3886 ASN  O   unknown type.  rad set to 1.9, chg 0
 3887 ASP  N   unknown type.  rad set to 1.9, chg 0
 3888 ASP   H  unknown type.  rad set to 1.9, chg 0
 3894 ASP  C   unknown type.  rad set to 1.9, chg 0
 3895 ASP  O   unknown type.  rad set to 1.9, chg 0
 3896 TRP  N   unknown type.  rad set to 1.9, chg 0
 3897 TRP   H  unknown type.  rad set to 1.9, chg 0
 3902 TRP   HD1unknown type.  rad set to 1.9, chg 0
 3905 TRP   HE1unknown type.  rad set to 1.9, chg 0
 3908 TRP   HE3unknown type.  rad set to 1.9, chg 0
 3910 TRP   HZ2unknown type.  rad set to 1.9, chg 0
 3912 TRP   HZ3unknown type.  rad set to 1.9, chg 0
 3914 TRP   HH2unknown type.  rad set to 1.9, chg 0
 3915 TRP  C   unknown type.  rad set to 1.9, chg 0
 3916 TRP  O   unknown type.  rad set to 1.9, chg 0
 3917 VAL  N   unknown type.  rad set to 1.9, chg 0
 3918 VAL   H  unknown type.  rad set to 1.9, chg 0
 3923 VAL  C   unknown type.  rad set to 1.9, chg 0
 3924 VAL  O   unknown type.  rad set to 1.9, chg 0
 3925 CYS  N   unknown type.  rad set to 1.9, chg 0
 3926 CYS   H  unknown type.  rad set to 1.9, chg 0
 3930 CYS  C   unknown type.  rad set to 1.9, chg 0
 3931 CYS  O   unknown type.  rad set to 1.9, chg 0
 3932 GLU  N   unknown type.  rad set to 1.9, chg 0
 3933 GLU   H  unknown type.  rad set to 1.9, chg 0
 3940 GLU  C   unknown type.  rad set to 1.9, chg 0
 3941 GLU  O   unknown type.  rad set to 1.9, chg 0
 3942 HIS  N   unknown type.  rad set to 1.9, chg 0
 3943 HIS   H  unknown type.  rad set to 1.9, chg 0
 3949 HIS   HD2unknown type.  rad set to 1.9, chg 0
 3951 HIS   HE1unknown type.  rad set to 1.9, chg 0
 3953 HIS   HE2unknown type.  rad set to 1.9, chg 0
 3954 HIS  C   unknown type.  rad set to 1.9, chg 0
 3955 HIS  O   unknown type.  rad set to 1.9, chg 0
 3956 ARG  N   unknown type.  rad set to 1.9, chg 0
 3957 ARG   H  unknown type.  rad set to 1.9, chg 0
 3963 ARG   HE unknown type.  rad set to 1.9, chg 0
 3966 ARG  1HH1unknown type.  rad set to 1.9, chg 0
 3967 ARG  2HH1unknown type.  rad set to 1.9, chg 0
 3969 ARG  1HH2unknown type.  rad set to 1.9, chg 0
 3970 ARG  2HH2unknown type.  rad set to 1.9, chg 0
 3971 ARG  C   unknown type.  rad set to 1.9, chg 0
 3972 ARG  O   unknown type.  rad set to 1.9, chg 0
 3973 TRP  N   unknown type.  rad set to 1.9, chg 0
 3974 TRP   H  unknown type.  rad set to 1.9, chg 0
 3979 TRP   HD1unknown type.  rad set to 1.9, chg 0
 3982 TRP   HE1unknown type.  rad set to 1.9, chg 0
 3985 TRP   HE3unknown type.  rad set to 1.9, chg 0
 3987 TRP   HZ2unknown type.  rad set to 1.9, chg 0
 3989 TRP   HZ3unknown type.  rad set to 1.9, chg 0
 3991 TRP   HH2unknown type.  rad set to 1.9, chg 0
 3992 TRP  C   unknown type.  rad set to 1.9, chg 0
 3993 TRP  O   unknown type.  rad set to 1.9, chg 0
 3994 ARG  N   unknown type.  rad set to 1.9, chg 0
 3995 ARG   H  unknown type.  rad set to 1.9, chg 0
 4001 ARG   HE unknown type.  rad set to 1.9, chg 0
 4004 ARG  1HH1unknown type.  rad set to 1.9, chg 0
 4005 ARG  2HH1unknown type.  rad set to 1.9, chg 0
 4007 ARG  1HH2unknown type.  rad set to 1.9, chg 0
 4008 ARG  2HH2unknown type.  rad set to 1.9, chg 0
 4009 ARG  C   unknown type.  rad set to 1.9, chg 0
 4010 ARG  O   unknown type.  rad set to 1.9, chg 0
 4011 GLU  N   unknown type.  rad set to 1.9, chg 0
 4012 GLU   H  unknown type.  rad set to 1.9, chg 0
 4019 GLU  C   unknown type.  rad set to 1.9, chg 0
 4020 GLU  O   unknown type.  rad set to 1.9, chg 0
 4021 ILE  N   unknown type.  rad set to 1.9, chg 0
 4022 ILE   H  unknown type.  rad set to 1.9, chg 0
 4027 ILE   CD unknown type.  rad set to 1.9, chg 0
 4028 ILE  C   unknown type.  rad set to 1.9, chg 0
 4029 ILE  O   unknown type.  rad set to 1.9, chg 0
 4030 ARG  N   unknown type.  rad set to 1.9, chg 0
 4031 ARG   H  unknown type.  rad set to 1.9, chg 0
 4037 ARG   HE unknown type.  rad set to 1.9, chg 0
 4040 ARG  1HH1unknown type.  rad set to 1.9, chg 0
 4041 ARG  2HH1unknown type.  rad set to 1.9, chg 0
 4043 ARG  1HH2unknown type.  rad set to 1.9, chg 0
 4044 ARG  2HH2unknown type.  rad set to 1.9, chg 0
 4045 ARG  C   unknown type.  rad set to 1.9, chg 0
 4046 ARG  O   unknown type.  rad set to 1.9, chg 0
 4047 ASN  N   unknown type.  rad set to 1.9, chg 0
 4048 ASN   H  unknown type.  rad set to 1.9, chg 0
 4054 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 4055 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 4056 ASN  C   unknown type.  rad set to 1.9, chg 0
 4057 ASN  O   unknown type.  rad set to 1.9, chg 0
 4058 MET  N   unknown type.  rad set to 1.9, chg 0
 4059 MET   H  unknown type.  rad set to 1.9, chg 0
 4065 MET  C   unknown type.  rad set to 1.9, chg 0
 4066 MET  O   unknown type.  rad set to 1.9, chg 0
 4067 VAL  N   unknown type.  rad set to 1.9, chg 0
 4068 VAL   H  unknown type.  rad set to 1.9, chg 0
 4073 VAL  C   unknown type.  rad set to 1.9, chg 0
 4074 VAL  O   unknown type.  rad set to 1.9, chg 0
 4075 TRP  N   unknown type.  rad set to 1.9, chg 0
 4076 TRP   H  unknown type.  rad set to 1.9, chg 0
 4081 TRP   HD1unknown type.  rad set to 1.9, chg 0
 4084 TRP   HE1unknown type.  rad set to 1.9, chg 0
 4087 TRP   HE3unknown type.  rad set to 1.9, chg 0
 4089 TRP   HZ2unknown type.  rad set to 1.9, chg 0
 4091 TRP   HZ3unknown type.  rad set to 1.9, chg 0
 4093 TRP   HH2unknown type.  rad set to 1.9, chg 0
 4094 TRP  C   unknown type.  rad set to 1.9, chg 0
 4095 TRP  O   unknown type.  rad set to 1.9, chg 0
 4096 PHE  N   unknown type.  rad set to 1.9, chg 0
 4097 PHE   H  unknown type.  rad set to 1.9, chg 0
 4102 PHE   HD1unknown type.  rad set to 1.9, chg 0
 4104 PHE   HD2unknown type.  rad set to 1.9, chg 0
 4106 PHE   HE1unknown type.  rad set to 1.9, chg 0
 4108 PHE   HE2unknown type.  rad set to 1.9, chg 0
 4110 PHE   HZ unknown type.  rad set to 1.9, chg 0
 4111 PHE  C   unknown type.  rad set to 1.9, chg 0
 4112 PHE  O   unknown type.  rad set to 1.9, chg 0
 4113 ARG  N   unknown type.  rad set to 1.9, chg 0
 4114 ARG   H  unknown type.  rad set to 1.9, chg 0
 4120 ARG   HE unknown type.  rad set to 1.9, chg 0
 4123 ARG  1HH1unknown type.  rad set to 1.9, chg 0
 4124 ARG  2HH1unknown type.  rad set to 1.9, chg 0
 4126 ARG  1HH2unknown type.  rad set to 1.9, chg 0
 4127 ARG  2HH2unknown type.  rad set to 1.9, chg 0
 4128 ARG  C   unknown type.  rad set to 1.9, chg 0
 4129 ARG  O   unknown type.  rad set to 1.9, chg 0
 4130 ASN  N   unknown type.  rad set to 1.9, chg 0
 4131 ASN   H  unknown type.  rad set to 1.9, chg 0
 4137 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 4138 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 4139 ASN  C   unknown type.  rad set to 1.9, chg 0
 4140 ASN  O   unknown type.  rad set to 1.9, chg 0
 4141 VAL  N   unknown type.  rad set to 1.9, chg 0
 4142 VAL   H  unknown type.  rad set to 1.9, chg 0
 4147 VAL  C   unknown type.  rad set to 1.9, chg 0
 4148 VAL  O   unknown type.  rad set to 1.9, chg 0
 4149 VAL  N   unknown type.  rad set to 1.9, chg 0
 4150 VAL   H  unknown type.  rad set to 1.9, chg 0
 4155 VAL  C   unknown type.  rad set to 1.9, chg 0
 4156 VAL  O   unknown type.  rad set to 1.9, chg 0
 4157 ASP  N   unknown type.  rad set to 1.9, chg 0
 4158 ASP   H  unknown type.  rad set to 1.9, chg 0
 4164 ASP  C   unknown type.  rad set to 1.9, chg 0
 4165 ASP  O   unknown type.  rad set to 1.9, chg 0
 4166 GLY  N   unknown type.  rad set to 1.9, chg 0
 4167 GLY   H  unknown type.  rad set to 1.9, chg 0
 4169 GLY  C   unknown type.  rad set to 1.9, chg 0
 4170 GLY  O   unknown type.  rad set to 1.9, chg 0
 4171 GLN  N   unknown type.  rad set to 1.9, chg 0
 4172 GLN   H  unknown type.  rad set to 1.9, chg 0
 4179 GLN  1HE2unknown type.  rad set to 1.9, chg 0
 4180 GLN  2HE2unknown type.  rad set to 1.9, chg 0
 4181 GLN  C   unknown type.  rad set to 1.9, chg 0
 4182 GLN  O   unknown type.  rad set to 1.9, chg 0
 4183 PRO  N   unknown type.  rad set to 1.9, chg 0
 4188 PRO  C   unknown type.  rad set to 1.9, chg 0
 4189 PRO  O   unknown type.  rad set to 1.9, chg 0
 4190 PHE  N   unknown type.  rad set to 1.9, chg 0
 4191 PHE   H  unknown type.  rad set to 1.9, chg 0
 4196 PHE   HD1unknown type.  rad set to 1.9, chg 0
 4198 PHE   HD2unknown type.  rad set to 1.9, chg 0
 4200 PHE   HE1unknown type.  rad set to 1.9, chg 0
 4202 PHE   HE2unknown type.  rad set to 1.9, chg 0
 4204 PHE   HZ unknown type.  rad set to 1.9, chg 0
 4205 PHE  C   unknown type.  rad set to 1.9, chg 0
 4206 PHE  O   unknown type.  rad set to 1.9, chg 0
 4207 ALA  N   unknown type.  rad set to 1.9, chg 0
 4208 ALA   H  unknown type.  rad set to 1.9, chg 0
 4211 ALA  C   unknown type.  rad set to 1.9, chg 0
 4212 ALA  O   unknown type.  rad set to 1.9, chg 0
 4213 ASN  N   unknown type.  rad set to 1.9, chg 0
 4214 ASN   H  unknown type.  rad set to 1.9, chg 0
 4220 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 4221 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 4222 ASN  C   unknown type.  rad set to 1.9, chg 0
 4223 ASN  O   unknown type.  rad set to 1.9, chg 0
 4224 TRP  N   unknown type.  rad set to 1.9, chg 0
 4225 TRP   H  unknown type.  rad set to 1.9, chg 0
 4230 TRP   HD1unknown type.  rad set to 1.9, chg 0
 4233 TRP   HE1unknown type.  rad set to 1.9, chg 0
 4236 TRP   HE3unknown type.  rad set to 1.9, chg 0
 4238 TRP   HZ2unknown type.  rad set to 1.9, chg 0
 4240 TRP   HZ3unknown type.  rad set to 1.9, chg 0
 4242 TRP   HH2unknown type.  rad set to 1.9, chg 0
 4243 TRP  C   unknown type.  rad set to 1.9, chg 0
 4244 TRP  O   unknown type.  rad set to 1.9, chg 0
 4245 TRP  N   unknown type.  rad set to 1.9, chg 0
 4246 TRP   H  unknown type.  rad set to 1.9, chg 0
 4251 TRP   HD1unknown type.  rad set to 1.9, chg 0
 4254 TRP   HE1unknown type.  rad set to 1.9, chg 0
 4257 TRP   HE3unknown type.  rad set to 1.9, chg 0
 4259 TRP   HZ2unknown type.  rad set to 1.9, chg 0
 4261 TRP   HZ3unknown type.  rad set to 1.9, chg 0
 4263 TRP   HH2unknown type.  rad set to 1.9, chg 0
 4264 TRP  C   unknown type.  rad set to 1.9, chg 0
 4265 TRP  O   unknown type.  rad set to 1.9, chg 0
 4266 ASP  N   unknown type.  rad set to 1.9, chg 0
 4267 ASP   H  unknown type.  rad set to 1.9, chg 0
 4273 ASP  C   unknown type.  rad set to 1.9, chg 0
 4274 ASP  O   unknown type.  rad set to 1.9, chg 0
 4275 ASN  N   unknown type.  rad set to 1.9, chg 0
 4276 ASN   H  unknown type.  rad set to 1.9, chg 0
 4282 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 4283 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 4284 ASN  C   unknown type.  rad set to 1.9, chg 0
 4285 ASN  O   unknown type.  rad set to 1.9, chg 0
 4286 GLY  N   unknown type.  rad set to 1.9, chg 0
 4287 GLY   H  unknown type.  rad set to 1.9, chg 0
 4289 GLY  C   unknown type.  rad set to 1.9, chg 0
 4290 GLY  O   unknown type.  rad set to 1.9, chg 0
 4291 SER  N   unknown type.  rad set to 1.9, chg 0
 4292 SER   H  unknown type.  rad set to 1.9, chg 0
 4296 SER   HG unknown type.  rad set to 1.9, chg 0
 4297 SER  C   unknown type.  rad set to 1.9, chg 0
 4298 SER  O   unknown type.  rad set to 1.9, chg 0
 4299 ASN  N   unknown type.  rad set to 1.9, chg 0
 4300 ASN   H  unknown type.  rad set to 1.9, chg 0
 4306 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 4307 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 4308 ASN  C   unknown type.  rad set to 1.9, chg 0
 4309 ASN  O   unknown type.  rad set to 1.9, chg 0
 4310 GLN  N   unknown type.  rad set to 1.9, chg 0
 4311 GLN   H  unknown type.  rad set to 1.9, chg 0
 4318 GLN  1HE2unknown type.  rad set to 1.9, chg 0
 4319 GLN  2HE2unknown type.  rad set to 1.9, chg 0
 4320 GLN  C   unknown type.  rad set to 1.9, chg 0
 4321 GLN  O   unknown type.  rad set to 1.9, chg 0
 4322 VAL  N   unknown type.  rad set to 1.9, chg 0
 4323 VAL   H  unknown type.  rad set to 1.9, chg 0
 4328 VAL  C   unknown type.  rad set to 1.9, chg 0
 4329 VAL  O   unknown type.  rad set to 1.9, chg 0
 4330 ALA  N   unknown type.  rad set to 1.9, chg 0
 4331 ALA   H  unknown type.  rad set to 1.9, chg 0
 4334 ALA  C   unknown type.  rad set to 1.9, chg 0
 4335 ALA  O   unknown type.  rad set to 1.9, chg 0
 4336 PHE  N   unknown type.  rad set to 1.9, chg 0
 4337 PHE   H  unknown type.  rad set to 1.9, chg 0
 4342 PHE   HD1unknown type.  rad set to 1.9, chg 0
 4344 PHE   HD2unknown type.  rad set to 1.9, chg 0
 4346 PHE   HE1unknown type.  rad set to 1.9, chg 0
 4348 PHE   HE2unknown type.  rad set to 1.9, chg 0
 4350 PHE   HZ unknown type.  rad set to 1.9, chg 0
 4351 PHE  C   unknown type.  rad set to 1.9, chg 0
 4352 PHE  O   unknown type.  rad set to 1.9, chg 0
 4353 GLY  N   unknown type.  rad set to 1.9, chg 0
 4354 GLY   H  unknown type.  rad set to 1.9, chg 0
 4356 GLY  C   unknown type.  rad set to 1.9, chg 0
 4357 GLY  O   unknown type.  rad set to 1.9, chg 0
 4358 ARG  N   unknown type.  rad set to 1.9, chg 0
 4359 ARG   H  unknown type.  rad set to 1.9, chg 0
 4365 ARG   HE unknown type.  rad set to 1.9, chg 0
 4368 ARG  1HH1unknown type.  rad set to 1.9, chg 0
 4369 ARG  2HH1unknown type.  rad set to 1.9, chg 0
 4371 ARG  1HH2unknown type.  rad set to 1.9, chg 0
 4372 ARG  2HH2unknown type.  rad set to 1.9, chg 0
 4373 ARG  C   unknown type.  rad set to 1.9, chg 0
 4374 ARG  O   unknown type.  rad set to 1.9, chg 0
 4375 GLY  N   unknown type.  rad set to 1.9, chg 0
 4376 GLY   H  unknown type.  rad set to 1.9, chg 0
 4378 GLY  C   unknown type.  rad set to 1.9, chg 0
 4379 GLY  O   unknown type.  rad set to 1.9, chg 0
 4380 ASN  N   unknown type.  rad set to 1.9, chg 0
 4381 ASN   H  unknown type.  rad set to 1.9, chg 0
 4387 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 4388 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 4389 ASN  C   unknown type.  rad set to 1.9, chg 0
 4390 ASN  O   unknown type.  rad set to 1.9, chg 0
 4391 ARG  N   unknown type.  rad set to 1.9, chg 0
 4392 ARG   H  unknown type.  rad set to 1.9, chg 0
 4398 ARG   HE unknown type.  rad set to 1.9, chg 0
 4401 ARG  1HH1unknown type.  rad set to 1.9, chg 0
 4402 ARG  2HH1unknown type.  rad set to 1.9, chg 0
 4404 ARG  1HH2unknown type.  rad set to 1.9, chg 0
 4405 ARG  2HH2unknown type.  rad set to 1.9, chg 0
 4406 ARG  C   unknown type.  rad set to 1.9, chg 0
 4407 ARG  O   unknown type.  rad set to 1.9, chg 0
 4408 GLY  N   unknown type.  rad set to 1.9, chg 0
 4409 GLY   H  unknown type.  rad set to 1.9, chg 0
 4411 GLY  C   unknown type.  rad set to 1.9, chg 0
 4412 GLY  O   unknown type.  rad set to 1.9, chg 0
 4413 PHE  N   unknown type.  rad set to 1.9, chg 0
 4414 PHE   H  unknown type.  rad set to 1.9, chg 0
 4419 PHE   HD1unknown type.  rad set to 1.9, chg 0
 4421 PHE   HD2unknown type.  rad set to 1.9, chg 0
 4423 PHE   HE1unknown type.  rad set to 1.9, chg 0
 4425 PHE   HE2unknown type.  rad set to 1.9, chg 0
 4427 PHE   HZ unknown type.  rad set to 1.9, chg 0
 4428 PHE  C   unknown type.  rad set to 1.9, chg 0
 4429 PHE  O   unknown type.  rad set to 1.9, chg 0
 4430 ILE  N   unknown type.  rad set to 1.9, chg 0
 4431 ILE   H  unknown type.  rad set to 1.9, chg 0
 4436 ILE   CD unknown type.  rad set to 1.9, chg 0
 4437 ILE  C   unknown type.  rad set to 1.9, chg 0
 4438 ILE  O   unknown type.  rad set to 1.9, chg 0
 4439 VAL  N   unknown type.  rad set to 1.9, chg 0
 4440 VAL   H  unknown type.  rad set to 1.9, chg 0
 4445 VAL  C   unknown type.  rad set to 1.9, chg 0
 4446 VAL  O   unknown type.  rad set to 1.9, chg 0
 4447 PHE  N   unknown type.  rad set to 1.9, chg 0
 4448 PHE   H  unknown type.  rad set to 1.9, chg 0
 4453 PHE   HD1unknown type.  rad set to 1.9, chg 0
 4455 PHE   HD2unknown type.  rad set to 1.9, chg 0
 4457 PHE   HE1unknown type.  rad set to 1.9, chg 0
 4459 PHE   HE2unknown type.  rad set to 1.9, chg 0
 4461 PHE   HZ unknown type.  rad set to 1.9, chg 0
 4462 PHE  C   unknown type.  rad set to 1.9, chg 0
 4463 PHE  O   unknown type.  rad set to 1.9, chg 0
 4464 ASN  N   unknown type.  rad set to 1.9, chg 0
 4465 ASN   H  unknown type.  rad set to 1.9, chg 0
 4471 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 4472 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 4473 ASN  C   unknown type.  rad set to 1.9, chg 0
 4474 ASN  O   unknown type.  rad set to 1.9, chg 0
 4475 ASN  N   unknown type.  rad set to 1.9, chg 0
 4476 ASN   H  unknown type.  rad set to 1.9, chg 0
 4482 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 4483 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 4484 ASN  C   unknown type.  rad set to 1.9, chg 0
 4485 ASN  O   unknown type.  rad set to 1.9, chg 0
 4486 ASP  N   unknown type.  rad set to 1.9, chg 0
 4487 ASP   H  unknown type.  rad set to 1.9, chg 0
 4493 ASP  C   unknown type.  rad set to 1.9, chg 0
 4494 ASP  O   unknown type.  rad set to 1.9, chg 0
 4495 ASP  N   unknown type.  rad set to 1.9, chg 0
 4496 ASP   H  unknown type.  rad set to 1.9, chg 0
 4502 ASP  C   unknown type.  rad set to 1.9, chg 0
 4503 ASP  O   unknown type.  rad set to 1.9, chg 0
 4504 TRP  N   unknown type.  rad set to 1.9, chg 0
 4505 TRP   H  unknown type.  rad set to 1.9, chg 0
 4510 TRP   HD1unknown type.  rad set to 1.9, chg 0
 4513 TRP   HE1unknown type.  rad set to 1.9, chg 0
 4516 TRP   HE3unknown type.  rad set to 1.9, chg 0
 4518 TRP   HZ2unknown type.  rad set to 1.9, chg 0
 4520 TRP   HZ3unknown type.  rad set to 1.9, chg 0
 4522 TRP   HH2unknown type.  rad set to 1.9, chg 0
 4523 TRP  C   unknown type.  rad set to 1.9, chg 0
 4524 TRP  O   unknown type.  rad set to 1.9, chg 0
 4525 GLN  N   unknown type.  rad set to 1.9, chg 0
 4526 GLN   H  unknown type.  rad set to 1.9, chg 0
 4533 GLN  1HE2unknown type.  rad set to 1.9, chg 0
 4534 GLN  2HE2unknown type.  rad set to 1.9, chg 0
 4535 GLN  C   unknown type.  rad set to 1.9, chg 0
 4536 GLN  O   unknown type.  rad set to 1.9, chg 0
 4537 LEU  N   unknown type.  rad set to 1.9, chg 0
 4538 LEU   H  unknown type.  rad set to 1.9, chg 0
 4544 LEU  C   unknown type.  rad set to 1.9, chg 0
 4545 LEU  O   unknown type.  rad set to 1.9, chg 0
 4546 SER  N   unknown type.  rad set to 1.9, chg 0
 4547 SER   H  unknown type.  rad set to 1.9, chg 0
 4551 SER   HG unknown type.  rad set to 1.9, chg 0
 4552 SER  C   unknown type.  rad set to 1.9, chg 0
 4553 SER  O   unknown type.  rad set to 1.9, chg 0
 4554 SER  N   unknown type.  rad set to 1.9, chg 0
 4555 SER   H  unknown type.  rad set to 1.9, chg 0
 4559 SER   HG unknown type.  rad set to 1.9, chg 0
 4560 SER  C   unknown type.  rad set to 1.9, chg 0
 4561 SER  O   unknown type.  rad set to 1.9, chg 0
 4562 THR  N   unknown type.  rad set to 1.9, chg 0
 4563 THR   H  unknown type.  rad set to 1.9, chg 0
 4567 THR   HG1unknown type.  rad set to 1.9, chg 0
 4569 THR  C   unknown type.  rad set to 1.9, chg 0
 4570 THR  O   unknown type.  rad set to 1.9, chg 0
 4571 LEU  N   unknown type.  rad set to 1.9, chg 0
 4572 LEU   H  unknown type.  rad set to 1.9, chg 0
 4578 LEU  C   unknown type.  rad set to 1.9, chg 0
 4579 LEU  O   unknown type.  rad set to 1.9, chg 0
 4580 GLN  N   unknown type.  rad set to 1.9, chg 0
 4581 GLN   H  unknown type.  rad set to 1.9, chg 0
 4588 GLN  1HE2unknown type.  rad set to 1.9, chg 0
 4589 GLN  2HE2unknown type.  rad set to 1.9, chg 0
 4590 GLN  C   unknown type.  rad set to 1.9, chg 0
 4591 GLN  O   unknown type.  rad set to 1.9, chg 0
 4592 THR  N   unknown type.  rad set to 1.9, chg 0
 4593 THR   H  unknown type.  rad set to 1.9, chg 0
 4597 THR   HG1unknown type.  rad set to 1.9, chg 0
 4599 THR  C   unknown type.  rad set to 1.9, chg 0
 4600 THR  O   unknown type.  rad set to 1.9, chg 0
 4601 GLY  N   unknown type.  rad set to 1.9, chg 0
 4602 GLY   H  unknown type.  rad set to 1.9, chg 0
 4604 GLY  C   unknown type.  rad set to 1.9, chg 0
 4605 GLY  O   unknown type.  rad set to 1.9, chg 0
 4606 LEU  N   unknown type.  rad set to 1.9, chg 0
 4607 LEU   H  unknown type.  rad set to 1.9, chg 0
 4613 LEU  C   unknown type.  rad set to 1.9, chg 0
 4614 LEU  O   unknown type.  rad set to 1.9, chg 0
 4615 PRO  N   unknown type.  rad set to 1.9, chg 0
 4620 PRO  C   unknown type.  rad set to 1.9, chg 0
 4621 PRO  O   unknown type.  rad set to 1.9, chg 0
 4622 GLY  N   unknown type.  rad set to 1.9, chg 0
 4623 GLY   H  unknown type.  rad set to 1.9, chg 0
 4625 GLY  C   unknown type.  rad set to 1.9, chg 0
 4626 GLY  O   unknown type.  rad set to 1.9, chg 0
 4627 GLY  N   unknown type.  rad set to 1.9, chg 0
 4628 GLY   H  unknown type.  rad set to 1.9, chg 0
 4630 GLY  C   unknown type.  rad set to 1.9, chg 0
 4631 GLY  O   unknown type.  rad set to 1.9, chg 0
 4632 THR  N   unknown type.  rad set to 1.9, chg 0
 4633 THR   H  unknown type.  rad set to 1.9, chg 0
 4637 THR   HG1unknown type.  rad set to 1.9, chg 0
 4639 THR  C   unknown type.  rad set to 1.9, chg 0
 4640 THR  O   unknown type.  rad set to 1.9, chg 0
 4641 TYR  N   unknown type.  rad set to 1.9, chg 0
 4642 TYR   H  unknown type.  rad set to 1.9, chg 0
 4647 TYR   HD1unknown type.  rad set to 1.9, chg 0
 4649 TYR   HD2unknown type.  rad set to 1.9, chg 0
 4651 TYR   HE1unknown type.  rad set to 1.9, chg 0
 4653 TYR   HE2unknown type.  rad set to 1.9, chg 0
 4656 TYR   HH unknown type.  rad set to 1.9, chg 0
 4657 TYR  C   unknown type.  rad set to 1.9, chg 0
 4658 TYR  O   unknown type.  rad set to 1.9, chg 0
 4659 CYS  N   unknown type.  rad set to 1.9, chg 0
 4660 CYS   H  unknown type.  rad set to 1.9, chg 0
 4664 CYS  C   unknown type.  rad set to 1.9, chg 0
 4665 CYS  O   unknown type.  rad set to 1.9, chg 0
 4666 ASP  N   unknown type.  rad set to 1.9, chg 0
 4667 ASP   H  unknown type.  rad set to 1.9, chg 0
 4673 ASP  C   unknown type.  rad set to 1.9, chg 0
 4674 ASP  O   unknown type.  rad set to 1.9, chg 0
 4675 VAL  N   unknown type.  rad set to 1.9, chg 0
 4676 VAL   H  unknown type.  rad set to 1.9, chg 0
 4681 VAL  C   unknown type.  rad set to 1.9, chg 0
 4682 VAL  O   unknown type.  rad set to 1.9, chg 0
 4683 ILE  N   unknown type.  rad set to 1.9, chg 0
 4684 ILE   H  unknown type.  rad set to 1.9, chg 0
 4689 ILE   CD unknown type.  rad set to 1.9, chg 0
 4690 ILE  C   unknown type.  rad set to 1.9, chg 0
 4691 ILE  O   unknown type.  rad set to 1.9, chg 0
 4692 SER  N   unknown type.  rad set to 1.9, chg 0
 4693 SER   H  unknown type.  rad set to 1.9, chg 0
 4697 SER   HG unknown type.  rad set to 1.9, chg 0
 4698 SER  C   unknown type.  rad set to 1.9, chg 0
 4699 SER  O   unknown type.  rad set to 1.9, chg 0
 4700 GLY  N   unknown type.  rad set to 1.9, chg 0
 4701 GLY   H  unknown type.  rad set to 1.9, chg 0
 4703 GLY  C   unknown type.  rad set to 1.9, chg 0
 4704 GLY  O   unknown type.  rad set to 1.9, chg 0
 4705 ASP  N   unknown type.  rad set to 1.9, chg 0
 4706 ASP   H  unknown type.  rad set to 1.9, chg 0
 4712 ASP  C   unknown type.  rad set to 1.9, chg 0
 4713 ASP  O   unknown type.  rad set to 1.9, chg 0
 4714 LYS  N   unknown type.  rad set to 1.9, chg 0
 4715 LYS   H  unknown type.  rad set to 1.9, chg 0
 4722 LYS   HZ1unknown type.  rad set to 1.9, chg 0
 4723 LYS   HZ2unknown type.  rad set to 1.9, chg 0
 4724 LYS   HZ3unknown type.  rad set to 1.9, chg 0
 4725 LYS  C   unknown type.  rad set to 1.9, chg 0
 4726 LYS  O   unknown type.  rad set to 1.9, chg 0
 4727 VAL  N   unknown type.  rad set to 1.9, chg 0
 4728 VAL   H  unknown type.  rad set to 1.9, chg 0
 4733 VAL  C   unknown type.  rad set to 1.9, chg 0
 4734 VAL  O   unknown type.  rad set to 1.9, chg 0
 4735 GLY  N   unknown type.  rad set to 1.9, chg 0
 4736 GLY   H  unknown type.  rad set to 1.9, chg 0
 4738 GLY  C   unknown type.  rad set to 1.9, chg 0
 4739 GLY  O   unknown type.  rad set to 1.9, chg 0
 4740 ASN  N   unknown type.  rad set to 1.9, chg 0
 4741 ASN   H  unknown type.  rad set to 1.9, chg 0
 4747 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 4748 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 4749 ASN  C   unknown type.  rad set to 1.9, chg 0
 4750 ASN  O   unknown type.  rad set to 1.9, chg 0
 4751 SER  N   unknown type.  rad set to 1.9, chg 0
 4752 SER   H  unknown type.  rad set to 1.9, chg 0
 4756 SER   HG unknown type.  rad set to 1.9, chg 0
 4757 SER  C   unknown type.  rad set to 1.9, chg 0
 4758 SER  O   unknown type.  rad set to 1.9, chg 0
 4759 CYS  N   unknown type.  rad set to 1.9, chg 0
 4760 CYS   H  unknown type.  rad set to 1.9, chg 0
 4764 CYS  C   unknown type.  rad set to 1.9, chg 0
 4765 CYS  O   unknown type.  rad set to 1.9, chg 0
 4766 THR  N   unknown type.  rad set to 1.9, chg 0
 4767 THR   H  unknown type.  rad set to 1.9, chg 0
 4771 THR   HG1unknown type.  rad set to 1.9, chg 0
 4773 THR  C   unknown type.  rad set to 1.9, chg 0
 4774 THR  O   unknown type.  rad set to 1.9, chg 0
 4775 GLY  N   unknown type.  rad set to 1.9, chg 0
 4776 GLY   H  unknown type.  rad set to 1.9, chg 0
 4778 GLY  C   unknown type.  rad set to 1.9, chg 0
 4779 GLY  O   unknown type.  rad set to 1.9, chg 0
 4780 ILE  N   unknown type.  rad set to 1.9, chg 0
 4781 ILE   H  unknown type.  rad set to 1.9, chg 0
 4786 ILE   CD unknown type.  rad set to 1.9, chg 0
 4787 ILE  C   unknown type.  rad set to 1.9, chg 0
 4788 ILE  O   unknown type.  rad set to 1.9, chg 0
 4789 LYS  N   unknown type.  rad set to 1.9, chg 0
 4790 LYS   H  unknown type.  rad set to 1.9, chg 0
 4797 LYS   HZ1unknown type.  rad set to 1.9, chg 0
 4798 LYS   HZ2unknown type.  rad set to 1.9, chg 0
 4799 LYS   HZ3unknown type.  rad set to 1.9, chg 0
 4800 LYS  C   unknown type.  rad set to 1.9, chg 0
 4801 LYS  O   unknown type.  rad set to 1.9, chg 0
 4802 VAL  N   unknown type.  rad set to 1.9, chg 0
 4803 VAL   H  unknown type.  rad set to 1.9, chg 0
 4808 VAL  C   unknown type.  rad set to 1.9, chg 0
 4809 VAL  O   unknown type.  rad set to 1.9, chg 0
 4810 TYR  N   unknown type.  rad set to 1.9, chg 0
 4811 TYR   H  unknown type.  rad set to 1.9, chg 0
 4816 TYR   HD1unknown type.  rad set to 1.9, chg 0
 4818 TYR   HD2unknown type.  rad set to 1.9, chg 0
 4820 TYR   HE1unknown type.  rad set to 1.9, chg 0
 4822 TYR   HE2unknown type.  rad set to 1.9, chg 0
 4825 TYR   HH unknown type.  rad set to 1.9, chg 0
 4826 TYR  C   unknown type.  rad set to 1.9, chg 0
 4827 TYR  O   unknown type.  rad set to 1.9, chg 0
 4828 VAL  N   unknown type.  rad set to 1.9, chg 0
 4829 VAL   H  unknown type.  rad set to 1.9, chg 0
 4834 VAL  C   unknown type.  rad set to 1.9, chg 0
 4835 VAL  O   unknown type.  rad set to 1.9, chg 0
 4836 SER  N   unknown type.  rad set to 1.9, chg 0
 4837 SER   H  unknown type.  rad set to 1.9, chg 0
 4841 SER   HG unknown type.  rad set to 1.9, chg 0
 4842 SER  C   unknown type.  rad set to 1.9, chg 0
 4843 SER  O   unknown type.  rad set to 1.9, chg 0
 4844 SER  N   unknown type.  rad set to 1.9, chg 0
 4845 SER   H  unknown type.  rad set to 1.9, chg 0
 4849 SER   HG unknown type.  rad set to 1.9, chg 0
 4850 SER  C   unknown type.  rad set to 1.9, chg 0
 4851 SER  O   unknown type.  rad set to 1.9, chg 0
 4852 ASP  N   unknown type.  rad set to 1.9, chg 0
 4853 ASP   H  unknown type.  rad set to 1.9, chg 0
 4859 ASP  C   unknown type.  rad set to 1.9, chg 0
 4860 ASP  O   unknown type.  rad set to 1.9, chg 0
 4861 GLY  N   unknown type.  rad set to 1.9, chg 0
 4862 GLY   H  unknown type.  rad set to 1.9, chg 0
 4864 GLY  C   unknown type.  rad set to 1.9, chg 0
 4865 GLY  O   unknown type.  rad set to 1.9, chg 0
 4866 THR  N   unknown type.  rad set to 1.9, chg 0
 4867 THR   H  unknown type.  rad set to 1.9, chg 0
 4871 THR   HG1unknown type.  rad set to 1.9, chg 0
 4873 THR  C   unknown type.  rad set to 1.9, chg 0
 4874 THR  O   unknown type.  rad set to 1.9, chg 0
 4875 ALA  N   unknown type.  rad set to 1.9, chg 0
 4876 ALA   H  unknown type.  rad set to 1.9, chg 0
 4879 ALA  C   unknown type.  rad set to 1.9, chg 0
 4880 ALA  O   unknown type.  rad set to 1.9, chg 0
 4881 GLN  N   unknown type.  rad set to 1.9, chg 0
 4882 GLN   H  unknown type.  rad set to 1.9, chg 0
 4889 GLN  1HE2unknown type.  rad set to 1.9, chg 0
 4890 GLN  2HE2unknown type.  rad set to 1.9, chg 0
 4891 GLN  C   unknown type.  rad set to 1.9, chg 0
 4892 GLN  O   unknown type.  rad set to 1.9, chg 0
 4893 PHE  N   unknown type.  rad set to 1.9, chg 0
 4894 PHE   H  unknown type.  rad set to 1.9, chg 0
 4899 PHE   HD1unknown type.  rad set to 1.9, chg 0
 4901 PHE   HD2unknown type.  rad set to 1.9, chg 0
 4903 PHE   HE1unknown type.  rad set to 1.9, chg 0
 4905 PHE   HE2unknown type.  rad set to 1.9, chg 0
 4907 PHE   HZ unknown type.  rad set to 1.9, chg 0
 4908 PHE  C   unknown type.  rad set to 1.9, chg 0
 4909 PHE  O   unknown type.  rad set to 1.9, chg 0
 4910 SER  N   unknown type.  rad set to 1.9, chg 0
 4911 SER   H  unknown type.  rad set to 1.9, chg 0
 4915 SER   HG unknown type.  rad set to 1.9, chg 0
 4916 SER  C   unknown type.  rad set to 1.9, chg 0
 4917 SER  O   unknown type.  rad set to 1.9, chg 0
 4918 ILE  N   unknown type.  rad set to 1.9, chg 0
 4919 ILE   H  unknown type.  rad set to 1.9, chg 0
 4924 ILE   CD unknown type.  rad set to 1.9, chg 0
 4925 ILE  C   unknown type.  rad set to 1.9, chg 0
 4926 ILE  O   unknown type.  rad set to 1.9, chg 0
 4927 SER  N   unknown type.  rad set to 1.9, chg 0
 4928 SER   H  unknown type.  rad set to 1.9, chg 0
 4932 SER   HG unknown type.  rad set to 1.9, chg 0
 4933 SER  C   unknown type.  rad set to 1.9, chg 0
 4934 SER  O   unknown type.  rad set to 1.9, chg 0
 4935 ASN  N   unknown type.  rad set to 1.9, chg 0
 4936 ASN   H  unknown type.  rad set to 1.9, chg 0
 4942 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 4943 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 4944 ASN  C   unknown type.  rad set to 1.9, chg 0
 4945 ASN  O   unknown type.  rad set to 1.9, chg 0
 4946 SER  N   unknown type.  rad set to 1.9, chg 0
 4947 SER   H  unknown type.  rad set to 1.9, chg 0
 4951 SER   HG unknown type.  rad set to 1.9, chg 0
 4952 SER  C   unknown type.  rad set to 1.9, chg 0
 4953 SER  O   unknown type.  rad set to 1.9, chg 0
 4954 ALA  N   unknown type.  rad set to 1.9, chg 0
 4955 ALA   H  unknown type.  rad set to 1.9, chg 0
 4958 ALA  C   unknown type.  rad set to 1.9, chg 0
 4959 ALA  O   unknown type.  rad set to 1.9, chg 0
 4960 GLU  N   unknown type.  rad set to 1.9, chg 0
 4961 GLU   H  unknown type.  rad set to 1.9, chg 0
 4968 GLU  C   unknown type.  rad set to 1.9, chg 0
 4969 GLU  O   unknown type.  rad set to 1.9, chg 0
 4970 ASP  N   unknown type.  rad set to 1.9, chg 0
 4971 ASP   H  unknown type.  rad set to 1.9, chg 0
 4977 ASP  C   unknown type.  rad set to 1.9, chg 0
 4978 ASP  O   unknown type.  rad set to 1.9, chg 0
 4979 PRO  N   unknown type.  rad set to 1.9, chg 0
 4984 PRO  C   unknown type.  rad set to 1.9, chg 0
 4985 PRO  O   unknown type.  rad set to 1.9, chg 0
 4986 PHE  N   unknown type.  rad set to 1.9, chg 0
 4987 PHE   H  unknown type.  rad set to 1.9, chg 0
 4992 PHE   HD1unknown type.  rad set to 1.9, chg 0
 4994 PHE   HD2unknown type.  rad set to 1.9, chg 0
 4996 PHE   HE1unknown type.  rad set to 1.9, chg 0
 4998 PHE   HE2unknown type.  rad set to 1.9, chg 0
 5000 PHE   HZ unknown type.  rad set to 1.9, chg 0
 5001 PHE  C   unknown type.  rad set to 1.9, chg 0
 5002 PHE  O   unknown type.  rad set to 1.9, chg 0
 5003 ILE  N   unknown type.  rad set to 1.9, chg 0
 5004 ILE   H  unknown type.  rad set to 1.9, chg 0
 5009 ILE   CD unknown type.  rad set to 1.9, chg 0
 5010 ILE  C   unknown type.  rad set to 1.9, chg 0
 5011 ILE  O   unknown type.  rad set to 1.9, chg 0
 5012 ALA  N   unknown type.  rad set to 1.9, chg 0
 5013 ALA   H  unknown type.  rad set to 1.9, chg 0
 5016 ALA  C   unknown type.  rad set to 1.9, chg 0
 5017 ALA  O   unknown type.  rad set to 1.9, chg 0
 5018 ILE  N   unknown type.  rad set to 1.9, chg 0
 5019 ILE   H  unknown type.  rad set to 1.9, chg 0
 5024 ILE   CD unknown type.  rad set to 1.9, chg 0
 5025 ILE  C   unknown type.  rad set to 1.9, chg 0
 5026 ILE  O   unknown type.  rad set to 1.9, chg 0
 5027 HIS  N   unknown type.  rad set to 1.9, chg 0
 5028 HIS   H  unknown type.  rad set to 1.9, chg 0
 5034 HIS   HD2unknown type.  rad set to 1.9, chg 0
 5036 HIS   HE1unknown type.  rad set to 1.9, chg 0
 5038 HIS   HE2unknown type.  rad set to 1.9, chg 0
 5039 HIS  C   unknown type.  rad set to 1.9, chg 0
 5040 HIS  O   unknown type.  rad set to 1.9, chg 0
 5041 ALA  N   unknown type.  rad set to 1.9, chg 0
 5042 ALA   H  unknown type.  rad set to 1.9, chg 0
 5045 ALA  C   unknown type.  rad set to 1.9, chg 0
 5046 ALA  O   unknown type.  rad set to 1.9, chg 0
 5047 GLU  N   unknown type.  rad set to 1.9, chg 0
 5048 GLU   H  unknown type.  rad set to 1.9, chg 0
 5055 GLU  C   unknown type.  rad set to 1.9, chg 0
 5056 GLU  O   unknown type.  rad set to 1.9, chg 0
 5057 SER  N   unknown type.  rad set to 1.9, chg 0
 5058 SER   H  unknown type.  rad set to 1.9, chg 0
 5062 SER   HG unknown type.  rad set to 1.9, chg 0
 5063 SER  C   unknown type.  rad set to 1.9, chg 0
 5064 SER  O   unknown type.  rad set to 1.9, chg 0
 5065 LYS  N   unknown type.  rad set to 1.9, chg 0
 5066 LYS   H  unknown type.  rad set to 1.9, chg 0
 5073 LYS   HZ1unknown type.  rad set to 1.9, chg 0
 5074 LYS   HZ2unknown type.  rad set to 1.9, chg 0
 5075 LYS   HZ3unknown type.  rad set to 1.9, chg 0
 5076 LYS  C   unknown type.  rad set to 1.9, chg 0
 5077 LYS  O   unknown type.  rad set to 1.9, chg 0
 5078 LEU  N   unknown type.  rad set to 1.9, chg 0
 5079 LEU   H  unknown type.  rad set to 1.9, chg 0
 5085 LEU  C   unknown type.  rad set to 1.9, chg 0
 5086 LEU   O1 unknown type.  rad set to 1.9, chg 0
 5087 LEU   O2 unknown type.  rad set to 1.9, chg 0

%%bash
export LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:/home/preps/golovin/progs/lib
export PATH=${PATH}:/home/preps/golovin/progs/bin
mark_sur cam.pdb cam_m.pdb

    1 GLN  N   unknown type.  rad set to 1.9, chg 0
    2 GLN   H1 unknown type.  rad set to 1.9, chg 0
    3 GLN   H2 unknown type.  rad set to 1.9, chg 0
    4 GLN   H3 unknown type.  rad set to 1.9, chg 0
   11 GLN  1HE2unknown type.  rad set to 1.9, chg 0
   12 GLN  2HE2unknown type.  rad set to 1.9, chg 0
   13 GLN  C   unknown type.  rad set to 1.9, chg 0
   14 GLN  O   unknown type.  rad set to 1.9, chg 0
   15 VAL  N   unknown type.  rad set to 1.9, chg 0
   16 VAL   H  unknown type.  rad set to 1.9, chg 0
   21 VAL  C   unknown type.  rad set to 1.9, chg 0
   22 VAL  O   unknown type.  rad set to 1.9, chg 0
   23 GLN  N   unknown type.  rad set to 1.9, chg 0
   24 GLN   H  unknown type.  rad set to 1.9, chg 0
   31 GLN  1HE2unknown type.  rad set to 1.9, chg 0
   32 GLN  2HE2unknown type.  rad set to 1.9, chg 0
   33 GLN  C   unknown type.  rad set to 1.9, chg 0
   34 GLN  O   unknown type.  rad set to 1.9, chg 0
   35 LEU  N   unknown type.  rad set to 1.9, chg 0
   36 LEU   H  unknown type.  rad set to 1.9, chg 0
   42 LEU  C   unknown type.  rad set to 1.9, chg 0
   43 LEU  O   unknown type.  rad set to 1.9, chg 0
   44 VAL  N   unknown type.  rad set to 1.9, chg 0
   45 VAL   H  unknown type.  rad set to 1.9, chg 0
   50 VAL  C   unknown type.  rad set to 1.9, chg 0
   51 VAL  O   unknown type.  rad set to 1.9, chg 0
   52 ALA  N   unknown type.  rad set to 1.9, chg 0
   53 ALA   H  unknown type.  rad set to 1.9, chg 0
   56 ALA  C   unknown type.  rad set to 1.9, chg 0
   57 ALA  O   unknown type.  rad set to 1.9, chg 0
   58 SER  N   unknown type.  rad set to 1.9, chg 0
   59 SER   H  unknown type.  rad set to 1.9, chg 0
   63 SER   HG unknown type.  rad set to 1.9, chg 0
   64 SER  C   unknown type.  rad set to 1.9, chg 0
   65 SER  O   unknown type.  rad set to 1.9, chg 0
   66 GLY  N   unknown type.  rad set to 1.9, chg 0
   67 GLY   H  unknown type.  rad set to 1.9, chg 0
   69 GLY  C   unknown type.  rad set to 1.9, chg 0
   70 GLY  O   unknown type.  rad set to 1.9, chg 0
   71 GLY  N   unknown type.  rad set to 1.9, chg 0
   72 GLY   H  unknown type.  rad set to 1.9, chg 0
   74 GLY  C   unknown type.  rad set to 1.9, chg 0
   75 GLY  O   unknown type.  rad set to 1.9, chg 0
   76 GLY  N   unknown type.  rad set to 1.9, chg 0
   77 GLY   H  unknown type.  rad set to 1.9, chg 0
   79 GLY  C   unknown type.  rad set to 1.9, chg 0
   80 GLY  O   unknown type.  rad set to 1.9, chg 0
   81 SER  N   unknown type.  rad set to 1.9, chg 0
   82 SER   H  unknown type.  rad set to 1.9, chg 0
   86 SER   HG unknown type.  rad set to 1.9, chg 0
   87 SER  C   unknown type.  rad set to 1.9, chg 0
   88 SER  O   unknown type.  rad set to 1.9, chg 0
   89 VAL  N   unknown type.  rad set to 1.9, chg 0
   90 VAL   H  unknown type.  rad set to 1.9, chg 0
   95 VAL  C   unknown type.  rad set to 1.9, chg 0
   96 VAL  O   unknown type.  rad set to 1.9, chg 0
   97 GLN  N   unknown type.  rad set to 1.9, chg 0
   98 GLN   H  unknown type.  rad set to 1.9, chg 0
  105 GLN  1HE2unknown type.  rad set to 1.9, chg 0
  106 GLN  2HE2unknown type.  rad set to 1.9, chg 0
  107 GLN  C   unknown type.  rad set to 1.9, chg 0
  108 GLN  O   unknown type.  rad set to 1.9, chg 0
  109 ALA  N   unknown type.  rad set to 1.9, chg 0
  110 ALA   H  unknown type.  rad set to 1.9, chg 0
  113 ALA  C   unknown type.  rad set to 1.9, chg 0
  114 ALA  O   unknown type.  rad set to 1.9, chg 0
  115 GLY  N   unknown type.  rad set to 1.9, chg 0
  116 GLY   H  unknown type.  rad set to 1.9, chg 0
  118 GLY  C   unknown type.  rad set to 1.9, chg 0
  119 GLY  O   unknown type.  rad set to 1.9, chg 0
  120 GLY  N   unknown type.  rad set to 1.9, chg 0
  121 GLY   H  unknown type.  rad set to 1.9, chg 0
  123 GLY  C   unknown type.  rad set to 1.9, chg 0
  124 GLY  O   unknown type.  rad set to 1.9, chg 0
  125 SER  N   unknown type.  rad set to 1.9, chg 0
  126 SER   H  unknown type.  rad set to 1.9, chg 0
  130 SER   HG unknown type.  rad set to 1.9, chg 0
  131 SER  C   unknown type.  rad set to 1.9, chg 0
  132 SER  O   unknown type.  rad set to 1.9, chg 0
  133 LEU  N   unknown type.  rad set to 1.9, chg 0
  134 LEU   H  unknown type.  rad set to 1.9, chg 0
  140 LEU  C   unknown type.  rad set to 1.9, chg 0
  141 LEU  O   unknown type.  rad set to 1.9, chg 0
  142 ARG  N   unknown type.  rad set to 1.9, chg 0
  143 ARG   H  unknown type.  rad set to 1.9, chg 0
  149 ARG   HE unknown type.  rad set to 1.9, chg 0
  152 ARG  1HH1unknown type.  rad set to 1.9, chg 0
  153 ARG  2HH1unknown type.  rad set to 1.9, chg 0
  155 ARG  1HH2unknown type.  rad set to 1.9, chg 0
  156 ARG  2HH2unknown type.  rad set to 1.9, chg 0
  157 ARG  C   unknown type.  rad set to 1.9, chg 0
  158 ARG  O   unknown type.  rad set to 1.9, chg 0
  159 LEU  N   unknown type.  rad set to 1.9, chg 0
  160 LEU   H  unknown type.  rad set to 1.9, chg 0
  166 LEU  C   unknown type.  rad set to 1.9, chg 0
  167 LEU  O   unknown type.  rad set to 1.9, chg 0
  168 SER  N   unknown type.  rad set to 1.9, chg 0
  169 SER   H  unknown type.  rad set to 1.9, chg 0
  173 SER   HG unknown type.  rad set to 1.9, chg 0
  174 SER  C   unknown type.  rad set to 1.9, chg 0
  175 SER  O   unknown type.  rad set to 1.9, chg 0
  176 CYS  N   unknown type.  rad set to 1.9, chg 0
  177 CYS   H  unknown type.  rad set to 1.9, chg 0
  181 CYS  C   unknown type.  rad set to 1.9, chg 0
  182 CYS  O   unknown type.  rad set to 1.9, chg 0
  183 ALA  N   unknown type.  rad set to 1.9, chg 0
  184 ALA   H  unknown type.  rad set to 1.9, chg 0
  187 ALA  C   unknown type.  rad set to 1.9, chg 0
  188 ALA  O   unknown type.  rad set to 1.9, chg 0
  189 ALA  N   unknown type.  rad set to 1.9, chg 0
  190 ALA   H  unknown type.  rad set to 1.9, chg 0
  193 ALA  C   unknown type.  rad set to 1.9, chg 0
  194 ALA  O   unknown type.  rad set to 1.9, chg 0
  195 SER  N   unknown type.  rad set to 1.9, chg 0
  196 SER   H  unknown type.  rad set to 1.9, chg 0
  200 SER   HG unknown type.  rad set to 1.9, chg 0
  201 SER  C   unknown type.  rad set to 1.9, chg 0
  202 SER  O   unknown type.  rad set to 1.9, chg 0
  203 THR  N   unknown type.  rad set to 1.9, chg 0
  204 THR   H  unknown type.  rad set to 1.9, chg 0
  208 THR   HG1unknown type.  rad set to 1.9, chg 0
  210 THR  C   unknown type.  rad set to 1.9, chg 0
  211 THR  O   unknown type.  rad set to 1.9, chg 0
  212 PHE  N   unknown type.  rad set to 1.9, chg 0
  213 PHE   H  unknown type.  rad set to 1.9, chg 0
  218 PHE   HD1unknown type.  rad set to 1.9, chg 0
  220 PHE   HD2unknown type.  rad set to 1.9, chg 0
  222 PHE   HE1unknown type.  rad set to 1.9, chg 0
  224 PHE   HE2unknown type.  rad set to 1.9, chg 0
  226 PHE   HZ unknown type.  rad set to 1.9, chg 0
  227 PHE  C   unknown type.  rad set to 1.9, chg 0
  228 PHE  O   unknown type.  rad set to 1.9, chg 0
  229 SER  N   unknown type.  rad set to 1.9, chg 0
  230 SER   H  unknown type.  rad set to 1.9, chg 0
  234 SER   HG unknown type.  rad set to 1.9, chg 0
  235 SER  C   unknown type.  rad set to 1.9, chg 0
  236 SER  O   unknown type.  rad set to 1.9, chg 0
  237 SER  N   unknown type.  rad set to 1.9, chg 0
  238 SER   H  unknown type.  rad set to 1.9, chg 0
  242 SER   HG unknown type.  rad set to 1.9, chg 0
  243 SER  C   unknown type.  rad set to 1.9, chg 0
  244 SER  O   unknown type.  rad set to 1.9, chg 0
  245 TYR  N   unknown type.  rad set to 1.9, chg 0
  246 TYR   H  unknown type.  rad set to 1.9, chg 0
  251 TYR   HD1unknown type.  rad set to 1.9, chg 0
  253 TYR   HD2unknown type.  rad set to 1.9, chg 0
  255 TYR   HE1unknown type.  rad set to 1.9, chg 0
  257 TYR   HE2unknown type.  rad set to 1.9, chg 0
  260 TYR   HH unknown type.  rad set to 1.9, chg 0
  261 TYR  C   unknown type.  rad set to 1.9, chg 0
  262 TYR  O   unknown type.  rad set to 1.9, chg 0
  263 PRO  N   unknown type.  rad set to 1.9, chg 0
  268 PRO  C   unknown type.  rad set to 1.9, chg 0
  269 PRO  O   unknown type.  rad set to 1.9, chg 0
  270 MET  N   unknown type.  rad set to 1.9, chg 0
  271 MET   H  unknown type.  rad set to 1.9, chg 0
  277 MET  C   unknown type.  rad set to 1.9, chg 0
  278 MET  O   unknown type.  rad set to 1.9, chg 0
  279 GLY  N   unknown type.  rad set to 1.9, chg 0
  280 GLY   H  unknown type.  rad set to 1.9, chg 0
  282 GLY  C   unknown type.  rad set to 1.9, chg 0
  283 GLY  O   unknown type.  rad set to 1.9, chg 0
  284 TRP  N   unknown type.  rad set to 1.9, chg 0
  285 TRP   H  unknown type.  rad set to 1.9, chg 0
  290 TRP   HD1unknown type.  rad set to 1.9, chg 0
  293 TRP   HE1unknown type.  rad set to 1.9, chg 0
  296 TRP   HE3unknown type.  rad set to 1.9, chg 0
  298 TRP   HZ2unknown type.  rad set to 1.9, chg 0
  300 TRP   HZ3unknown type.  rad set to 1.9, chg 0
  302 TRP   HH2unknown type.  rad set to 1.9, chg 0
  303 TRP  C   unknown type.  rad set to 1.9, chg 0
  304 TRP  O   unknown type.  rad set to 1.9, chg 0
  305 TYR  N   unknown type.  rad set to 1.9, chg 0
  306 TYR   H  unknown type.  rad set to 1.9, chg 0
  311 TYR   HD1unknown type.  rad set to 1.9, chg 0
  313 TYR   HD2unknown type.  rad set to 1.9, chg 0
  315 TYR   HE1unknown type.  rad set to 1.9, chg 0
  317 TYR   HE2unknown type.  rad set to 1.9, chg 0
  320 TYR   HH unknown type.  rad set to 1.9, chg 0
  321 TYR  C   unknown type.  rad set to 1.9, chg 0
  322 TYR  O   unknown type.  rad set to 1.9, chg 0
  323 ARG  N   unknown type.  rad set to 1.9, chg 0
  324 ARG   H  unknown type.  rad set to 1.9, chg 0
  330 ARG   HE unknown type.  rad set to 1.9, chg 0
  333 ARG  1HH1unknown type.  rad set to 1.9, chg 0
  334 ARG  2HH1unknown type.  rad set to 1.9, chg 0
  336 ARG  1HH2unknown type.  rad set to 1.9, chg 0
  337 ARG  2HH2unknown type.  rad set to 1.9, chg 0
  338 ARG  C   unknown type.  rad set to 1.9, chg 0
  339 ARG  O   unknown type.  rad set to 1.9, chg 0
  340 GLN  N   unknown type.  rad set to 1.9, chg 0
  341 GLN   H  unknown type.  rad set to 1.9, chg 0
  348 GLN  1HE2unknown type.  rad set to 1.9, chg 0
  349 GLN  2HE2unknown type.  rad set to 1.9, chg 0
  350 GLN  C   unknown type.  rad set to 1.9, chg 0
  351 GLN  O   unknown type.  rad set to 1.9, chg 0
  352 ALA  N   unknown type.  rad set to 1.9, chg 0
  353 ALA   H  unknown type.  rad set to 1.9, chg 0
  356 ALA  C   unknown type.  rad set to 1.9, chg 0
  357 ALA  O   unknown type.  rad set to 1.9, chg 0
  358 PRO  N   unknown type.  rad set to 1.9, chg 0
  363 PRO  C   unknown type.  rad set to 1.9, chg 0
  364 PRO  O   unknown type.  rad set to 1.9, chg 0
  365 GLY  N   unknown type.  rad set to 1.9, chg 0
  366 GLY   H  unknown type.  rad set to 1.9, chg 0
  368 GLY  C   unknown type.  rad set to 1.9, chg 0
  369 GLY  O   unknown type.  rad set to 1.9, chg 0
  370 LYS  N   unknown type.  rad set to 1.9, chg 0
  371 LYS   H  unknown type.  rad set to 1.9, chg 0
  378 LYS   HZ1unknown type.  rad set to 1.9, chg 0
  379 LYS   HZ2unknown type.  rad set to 1.9, chg 0
  380 LYS   HZ3unknown type.  rad set to 1.9, chg 0
  381 LYS  C   unknown type.  rad set to 1.9, chg 0
  382 LYS  O   unknown type.  rad set to 1.9, chg 0
  383 GLU  N   unknown type.  rad set to 1.9, chg 0
  384 GLU   H  unknown type.  rad set to 1.9, chg 0
  391 GLU  C   unknown type.  rad set to 1.9, chg 0
  392 GLU  O   unknown type.  rad set to 1.9, chg 0
  393 CYS  N   unknown type.  rad set to 1.9, chg 0
  394 CYS   H  unknown type.  rad set to 1.9, chg 0
  398 CYS  C   unknown type.  rad set to 1.9, chg 0
  399 CYS  O   unknown type.  rad set to 1.9, chg 0
  400 GLU  N   unknown type.  rad set to 1.9, chg 0
  401 GLU   H  unknown type.  rad set to 1.9, chg 0
  408 GLU  C   unknown type.  rad set to 1.9, chg 0
  409 GLU  O   unknown type.  rad set to 1.9, chg 0
  410 LEU  N   unknown type.  rad set to 1.9, chg 0
  411 LEU   H  unknown type.  rad set to 1.9, chg 0
  417 LEU  C   unknown type.  rad set to 1.9, chg 0
  418 LEU  O   unknown type.  rad set to 1.9, chg 0
  419 SER  N   unknown type.  rad set to 1.9, chg 0
  420 SER   H  unknown type.  rad set to 1.9, chg 0
  424 SER   HG unknown type.  rad set to 1.9, chg 0
  425 SER  C   unknown type.  rad set to 1.9, chg 0
  426 SER  O   unknown type.  rad set to 1.9, chg 0
  427 ALA  N   unknown type.  rad set to 1.9, chg 0
  428 ALA   H  unknown type.  rad set to 1.9, chg 0
  431 ALA  C   unknown type.  rad set to 1.9, chg 0
  432 ALA  O   unknown type.  rad set to 1.9, chg 0
  433 ARG  N   unknown type.  rad set to 1.9, chg 0
  434 ARG   H  unknown type.  rad set to 1.9, chg 0
  440 ARG   HE unknown type.  rad set to 1.9, chg 0
  443 ARG  1HH1unknown type.  rad set to 1.9, chg 0
  444 ARG  2HH1unknown type.  rad set to 1.9, chg 0
  446 ARG  1HH2unknown type.  rad set to 1.9, chg 0
  447 ARG  2HH2unknown type.  rad set to 1.9, chg 0
  448 ARG  C   unknown type.  rad set to 1.9, chg 0
  449 ARG  O   unknown type.  rad set to 1.9, chg 0
  450 ILE  N   unknown type.  rad set to 1.9, chg 0
  451 ILE   H  unknown type.  rad set to 1.9, chg 0
  456 ILE   CD unknown type.  rad set to 1.9, chg 0
  457 ILE  C   unknown type.  rad set to 1.9, chg 0
  458 ILE  O   unknown type.  rad set to 1.9, chg 0
  459 PHE  N   unknown type.  rad set to 1.9, chg 0
  460 PHE   H  unknown type.  rad set to 1.9, chg 0
  465 PHE   HD1unknown type.  rad set to 1.9, chg 0
  467 PHE   HD2unknown type.  rad set to 1.9, chg 0
  469 PHE   HE1unknown type.  rad set to 1.9, chg 0
  471 PHE   HE2unknown type.  rad set to 1.9, chg 0
  473 PHE   HZ unknown type.  rad set to 1.9, chg 0
  474 PHE  C   unknown type.  rad set to 1.9, chg 0
  475 PHE  O   unknown type.  rad set to 1.9, chg 0
  476 SER  N   unknown type.  rad set to 1.9, chg 0
  477 SER   H  unknown type.  rad set to 1.9, chg 0
  481 SER   HG unknown type.  rad set to 1.9, chg 0
  482 SER  C   unknown type.  rad set to 1.9, chg 0
  483 SER  O   unknown type.  rad set to 1.9, chg 0
  484 ASP  N   unknown type.  rad set to 1.9, chg 0
  485 ASP   H  unknown type.  rad set to 1.9, chg 0
  491 ASP  C   unknown type.  rad set to 1.9, chg 0
  492 ASP  O   unknown type.  rad set to 1.9, chg 0
  493 GLY  N   unknown type.  rad set to 1.9, chg 0
  494 GLY   H  unknown type.  rad set to 1.9, chg 0
  496 GLY  C   unknown type.  rad set to 1.9, chg 0
  497 GLY  O   unknown type.  rad set to 1.9, chg 0
  498 SER  N   unknown type.  rad set to 1.9, chg 0
  499 SER   H  unknown type.  rad set to 1.9, chg 0
  503 SER   HG unknown type.  rad set to 1.9, chg 0
  504 SER  C   unknown type.  rad set to 1.9, chg 0
  505 SER  O   unknown type.  rad set to 1.9, chg 0
  506 ALA  N   unknown type.  rad set to 1.9, chg 0
  507 ALA   H  unknown type.  rad set to 1.9, chg 0
  510 ALA  C   unknown type.  rad set to 1.9, chg 0
  511 ALA  O   unknown type.  rad set to 1.9, chg 0
  512 ASN  N   unknown type.  rad set to 1.9, chg 0
  513 ASN   H  unknown type.  rad set to 1.9, chg 0
  519 ASN  1HD2unknown type.  rad set to 1.9, chg 0
  520 ASN  2HD2unknown type.  rad set to 1.9, chg 0
  521 ASN  C   unknown type.  rad set to 1.9, chg 0
  522 ASN  O   unknown type.  rad set to 1.9, chg 0
  523 TYR  N   unknown type.  rad set to 1.9, chg 0
  524 TYR   H  unknown type.  rad set to 1.9, chg 0
  529 TYR   HD1unknown type.  rad set to 1.9, chg 0
  531 TYR   HD2unknown type.  rad set to 1.9, chg 0
  533 TYR   HE1unknown type.  rad set to 1.9, chg 0
  535 TYR   HE2unknown type.  rad set to 1.9, chg 0
  538 TYR   HH unknown type.  rad set to 1.9, chg 0
  539 TYR  C   unknown type.  rad set to 1.9, chg 0
  540 TYR  O   unknown type.  rad set to 1.9, chg 0
  541 ALA  N   unknown type.  rad set to 1.9, chg 0
  542 ALA   H  unknown type.  rad set to 1.9, chg 0
  545 ALA  C   unknown type.  rad set to 1.9, chg 0
  546 ALA  O   unknown type.  rad set to 1.9, chg 0
  547 ASP  N   unknown type.  rad set to 1.9, chg 0
  548 ASP   H  unknown type.  rad set to 1.9, chg 0
  554 ASP  C   unknown type.  rad set to 1.9, chg 0
  555 ASP  O   unknown type.  rad set to 1.9, chg 0
  556 SER  N   unknown type.  rad set to 1.9, chg 0
  557 SER   H  unknown type.  rad set to 1.9, chg 0
  561 SER   HG unknown type.  rad set to 1.9, chg 0
  562 SER  C   unknown type.  rad set to 1.9, chg 0
  563 SER  O   unknown type.  rad set to 1.9, chg 0
  564 VAL  N   unknown type.  rad set to 1.9, chg 0
  565 VAL   H  unknown type.  rad set to 1.9, chg 0
  570 VAL  C   unknown type.  rad set to 1.9, chg 0
  571 VAL  O   unknown type.  rad set to 1.9, chg 0
  572 LYS  N   unknown type.  rad set to 1.9, chg 0
  573 LYS   H  unknown type.  rad set to 1.9, chg 0
  580 LYS   HZ1unknown type.  rad set to 1.9, chg 0
  581 LYS   HZ2unknown type.  rad set to 1.9, chg 0
  582 LYS   HZ3unknown type.  rad set to 1.9, chg 0
  583 LYS  C   unknown type.  rad set to 1.9, chg 0
  584 LYS  O   unknown type.  rad set to 1.9, chg 0
  585 GLY  N   unknown type.  rad set to 1.9, chg 0
  586 GLY   H  unknown type.  rad set to 1.9, chg 0
  588 GLY  C   unknown type.  rad set to 1.9, chg 0
  589 GLY  O   unknown type.  rad set to 1.9, chg 0
  590 ARG  N   unknown type.  rad set to 1.9, chg 0
  591 ARG   H  unknown type.  rad set to 1.9, chg 0
  597 ARG   HE unknown type.  rad set to 1.9, chg 0
  600 ARG  1HH1unknown type.  rad set to 1.9, chg 0
  601 ARG  2HH1unknown type.  rad set to 1.9, chg 0
  603 ARG  1HH2unknown type.  rad set to 1.9, chg 0
  604 ARG  2HH2unknown type.  rad set to 1.9, chg 0
  605 ARG  C   unknown type.  rad set to 1.9, chg 0
  606 ARG  O   unknown type.  rad set to 1.9, chg 0
  607 PHE  N   unknown type.  rad set to 1.9, chg 0
  608 PHE   H  unknown type.  rad set to 1.9, chg 0
  613 PHE   HD1unknown type.  rad set to 1.9, chg 0
  615 PHE   HD2unknown type.  rad set to 1.9, chg 0
  617 PHE   HE1unknown type.  rad set to 1.9, chg 0
  619 PHE   HE2unknown type.  rad set to 1.9, chg 0
  621 PHE   HZ unknown type.  rad set to 1.9, chg 0
  622 PHE  C   unknown type.  rad set to 1.9, chg 0
  623 PHE  O   unknown type.  rad set to 1.9, chg 0
  624 THR  N   unknown type.  rad set to 1.9, chg 0
  625 THR   H  unknown type.  rad set to 1.9, chg 0
  629 THR   HG1unknown type.  rad set to 1.9, chg 0
  631 THR  C   unknown type.  rad set to 1.9, chg 0
  632 THR  O   unknown type.  rad set to 1.9, chg 0
  633 ILE  N   unknown type.  rad set to 1.9, chg 0
  634 ILE   H  unknown type.  rad set to 1.9, chg 0
  639 ILE   CD unknown type.  rad set to 1.9, chg 0
  640 ILE  C   unknown type.  rad set to 1.9, chg 0
  641 ILE  O   unknown type.  rad set to 1.9, chg 0
  642 SER  N   unknown type.  rad set to 1.9, chg 0
  643 SER   H  unknown type.  rad set to 1.9, chg 0
  647 SER   HG unknown type.  rad set to 1.9, chg 0
  648 SER  C   unknown type.  rad set to 1.9, chg 0
  649 SER  O   unknown type.  rad set to 1.9, chg 0
  650 ARG  N   unknown type.  rad set to 1.9, chg 0
  651 ARG   H  unknown type.  rad set to 1.9, chg 0
  657 ARG   HE unknown type.  rad set to 1.9, chg 0
  660 ARG  1HH1unknown type.  rad set to 1.9, chg 0
  661 ARG  2HH1unknown type.  rad set to 1.9, chg 0
  663 ARG  1HH2unknown type.  rad set to 1.9, chg 0
  664 ARG  2HH2unknown type.  rad set to 1.9, chg 0
  665 ARG  C   unknown type.  rad set to 1.9, chg 0
  666 ARG  O   unknown type.  rad set to 1.9, chg 0
  667 ASP  N   unknown type.  rad set to 1.9, chg 0
  668 ASP   H  unknown type.  rad set to 1.9, chg 0
  674 ASP  C   unknown type.  rad set to 1.9, chg 0
  675 ASP  O   unknown type.  rad set to 1.9, chg 0
  676 ASN  N   unknown type.  rad set to 1.9, chg 0
  677 ASN   H  unknown type.  rad set to 1.9, chg 0
  683 ASN  1HD2unknown type.  rad set to 1.9, chg 0
  684 ASN  2HD2unknown type.  rad set to 1.9, chg 0
  685 ASN  C   unknown type.  rad set to 1.9, chg 0
  686 ASN  O   unknown type.  rad set to 1.9, chg 0
  687 ALA  N   unknown type.  rad set to 1.9, chg 0
  688 ALA   H  unknown type.  rad set to 1.9, chg 0
  691 ALA  C   unknown type.  rad set to 1.9, chg 0
  692 ALA  O   unknown type.  rad set to 1.9, chg 0
  693 ALA  N   unknown type.  rad set to 1.9, chg 0
  694 ALA   H  unknown type.  rad set to 1.9, chg 0
  697 ALA  C   unknown type.  rad set to 1.9, chg 0
  698 ALA  O   unknown type.  rad set to 1.9, chg 0
  699 ASN  N   unknown type.  rad set to 1.9, chg 0
  700 ASN   H  unknown type.  rad set to 1.9, chg 0
  706 ASN  1HD2unknown type.  rad set to 1.9, chg 0
  707 ASN  2HD2unknown type.  rad set to 1.9, chg 0
  708 ASN  C   unknown type.  rad set to 1.9, chg 0
  709 ASN  O   unknown type.  rad set to 1.9, chg 0
  710 THR  N   unknown type.  rad set to 1.9, chg 0
  711 THR   H  unknown type.  rad set to 1.9, chg 0
  715 THR   HG1unknown type.  rad set to 1.9, chg 0
  717 THR  C   unknown type.  rad set to 1.9, chg 0
  718 THR  O   unknown type.  rad set to 1.9, chg 0
  719 ALA  N   unknown type.  rad set to 1.9, chg 0
  720 ALA   H  unknown type.  rad set to 1.9, chg 0
  723 ALA  C   unknown type.  rad set to 1.9, chg 0
  724 ALA  O   unknown type.  rad set to 1.9, chg 0
  725 TYR  N   unknown type.  rad set to 1.9, chg 0
  726 TYR   H  unknown type.  rad set to 1.9, chg 0
  731 TYR   HD1unknown type.  rad set to 1.9, chg 0
  733 TYR   HD2unknown type.  rad set to 1.9, chg 0
  735 TYR   HE1unknown type.  rad set to 1.9, chg 0
  737 TYR   HE2unknown type.  rad set to 1.9, chg 0
  740 TYR   HH unknown type.  rad set to 1.9, chg 0
  741 TYR  C   unknown type.  rad set to 1.9, chg 0
  742 TYR  O   unknown type.  rad set to 1.9, chg 0
  743 LEU  N   unknown type.  rad set to 1.9, chg 0
  744 LEU   H  unknown type.  rad set to 1.9, chg 0
  750 LEU  C   unknown type.  rad set to 1.9, chg 0
  751 LEU  O   unknown type.  rad set to 1.9, chg 0
  752 GLN  N   unknown type.  rad set to 1.9, chg 0
  753 GLN   H  unknown type.  rad set to 1.9, chg 0
  760 GLN  1HE2unknown type.  rad set to 1.9, chg 0
  761 GLN  2HE2unknown type.  rad set to 1.9, chg 0
  762 GLN  C   unknown type.  rad set to 1.9, chg 0
  763 GLN  O   unknown type.  rad set to 1.9, chg 0
  764 MET  N   unknown type.  rad set to 1.9, chg 0
  765 MET   H  unknown type.  rad set to 1.9, chg 0
  771 MET  C   unknown type.  rad set to 1.9, chg 0
  772 MET  O   unknown type.  rad set to 1.9, chg 0
  773 ASP  N   unknown type.  rad set to 1.9, chg 0
  774 ASP   H  unknown type.  rad set to 1.9, chg 0
  780 ASP  C   unknown type.  rad set to 1.9, chg 0
  781 ASP  O   unknown type.  rad set to 1.9, chg 0
  782 SER  N   unknown type.  rad set to 1.9, chg 0
  783 SER   H  unknown type.  rad set to 1.9, chg 0
  787 SER   HG unknown type.  rad set to 1.9, chg 0
  788 SER  C   unknown type.  rad set to 1.9, chg 0
  789 SER  O   unknown type.  rad set to 1.9, chg 0
  790 LEU  N   unknown type.  rad set to 1.9, chg 0
  791 LEU   H  unknown type.  rad set to 1.9, chg 0
  797 LEU  C   unknown type.  rad set to 1.9, chg 0
  798 LEU  O   unknown type.  rad set to 1.9, chg 0
  799 LYS  N   unknown type.  rad set to 1.9, chg 0
  800 LYS   H  unknown type.  rad set to 1.9, chg 0
  807 LYS   HZ1unknown type.  rad set to 1.9, chg 0
  808 LYS   HZ2unknown type.  rad set to 1.9, chg 0
  809 LYS   HZ3unknown type.  rad set to 1.9, chg 0
  810 LYS  C   unknown type.  rad set to 1.9, chg 0
  811 LYS  O   unknown type.  rad set to 1.9, chg 0
  812 PRO  N   unknown type.  rad set to 1.9, chg 0
  817 PRO  C   unknown type.  rad set to 1.9, chg 0
  818 PRO  O   unknown type.  rad set to 1.9, chg 0
  819 GLU  N   unknown type.  rad set to 1.9, chg 0
  820 GLU   H  unknown type.  rad set to 1.9, chg 0
  827 GLU  C   unknown type.  rad set to 1.9, chg 0
  828 GLU  O   unknown type.  rad set to 1.9, chg 0
  829 ASP  N   unknown type.  rad set to 1.9, chg 0
  830 ASP   H  unknown type.  rad set to 1.9, chg 0
  836 ASP  C   unknown type.  rad set to 1.9, chg 0
  837 ASP  O   unknown type.  rad set to 1.9, chg 0
  838 THR  N   unknown type.  rad set to 1.9, chg 0
  839 THR   H  unknown type.  rad set to 1.9, chg 0
  843 THR   HG1unknown type.  rad set to 1.9, chg 0
  845 THR  C   unknown type.  rad set to 1.9, chg 0
  846 THR  O   unknown type.  rad set to 1.9, chg 0
  847 ALA  N   unknown type.  rad set to 1.9, chg 0
  848 ALA   H  unknown type.  rad set to 1.9, chg 0
  851 ALA  C   unknown type.  rad set to 1.9, chg 0
  852 ALA  O   unknown type.  rad set to 1.9, chg 0
  853 VAL  N   unknown type.  rad set to 1.9, chg 0
  854 VAL   H  unknown type.  rad set to 1.9, chg 0
  859 VAL  C   unknown type.  rad set to 1.9, chg 0
  860 VAL  O   unknown type.  rad set to 1.9, chg 0
  861 TYR  N   unknown type.  rad set to 1.9, chg 0
  862 TYR   H  unknown type.  rad set to 1.9, chg 0
  867 TYR   HD1unknown type.  rad set to 1.9, chg 0
  869 TYR   HD2unknown type.  rad set to 1.9, chg 0
  871 TYR   HE1unknown type.  rad set to 1.9, chg 0
  873 TYR   HE2unknown type.  rad set to 1.9, chg 0
  876 TYR   HH unknown type.  rad set to 1.9, chg 0
  877 TYR  C   unknown type.  rad set to 1.9, chg 0
  878 TYR  O   unknown type.  rad set to 1.9, chg 0
  879 TYR  N   unknown type.  rad set to 1.9, chg 0
  880 TYR   H  unknown type.  rad set to 1.9, chg 0
  885 TYR   HD1unknown type.  rad set to 1.9, chg 0
  887 TYR   HD2unknown type.  rad set to 1.9, chg 0
  889 TYR   HE1unknown type.  rad set to 1.9, chg 0
  891 TYR   HE2unknown type.  rad set to 1.9, chg 0
  894 TYR   HH unknown type.  rad set to 1.9, chg 0
  895 TYR  C   unknown type.  rad set to 1.9, chg 0
  896 TYR  O   unknown type.  rad set to 1.9, chg 0
  897 CYS  N   unknown type.  rad set to 1.9, chg 0
  898 CYS   H  unknown type.  rad set to 1.9, chg 0
  902 CYS  C   unknown type.  rad set to 1.9, chg 0
  903 CYS  O   unknown type.  rad set to 1.9, chg 0
  904 ALA  N   unknown type.  rad set to 1.9, chg 0
  905 ALA   H  unknown type.  rad set to 1.9, chg 0
  908 ALA  C   unknown type.  rad set to 1.9, chg 0
  909 ALA  O   unknown type.  rad set to 1.9, chg 0
  910 ALA  N   unknown type.  rad set to 1.9, chg 0
  911 ALA   H  unknown type.  rad set to 1.9, chg 0
  914 ALA  C   unknown type.  rad set to 1.9, chg 0
  915 ALA  O   unknown type.  rad set to 1.9, chg 0
  916 GLY  N   unknown type.  rad set to 1.9, chg 0
  917 GLY   H  unknown type.  rad set to 1.9, chg 0
  919 GLY  C   unknown type.  rad set to 1.9, chg 0
  920 GLY  O   unknown type.  rad set to 1.9, chg 0
  921 PRO  N   unknown type.  rad set to 1.9, chg 0
  926 PRO  C   unknown type.  rad set to 1.9, chg 0
  927 PRO  O   unknown type.  rad set to 1.9, chg 0
  928 GLY  N   unknown type.  rad set to 1.9, chg 0
  929 GLY   H  unknown type.  rad set to 1.9, chg 0
  931 GLY  C   unknown type.  rad set to 1.9, chg 0
  932 GLY  O   unknown type.  rad set to 1.9, chg 0
  933 SER  N   unknown type.  rad set to 1.9, chg 0
  934 SER   H  unknown type.  rad set to 1.9, chg 0
  938 SER   HG unknown type.  rad set to 1.9, chg 0
  939 SER  C   unknown type.  rad set to 1.9, chg 0
  940 SER  O   unknown type.  rad set to 1.9, chg 0
  941 GLY  N   unknown type.  rad set to 1.9, chg 0
  942 GLY   H  unknown type.  rad set to 1.9, chg 0
  944 GLY  C   unknown type.  rad set to 1.9, chg 0
  945 GLY  O   unknown type.  rad set to 1.9, chg 0
  946 LYS  N   unknown type.  rad set to 1.9, chg 0
  947 LYS   H  unknown type.  rad set to 1.9, chg 0
  954 LYS   HZ1unknown type.  rad set to 1.9, chg 0
  955 LYS   HZ2unknown type.  rad set to 1.9, chg 0
  956 LYS   HZ3unknown type.  rad set to 1.9, chg 0
  957 LYS  C   unknown type.  rad set to 1.9, chg 0
  958 LYS  O   unknown type.  rad set to 1.9, chg 0
  959 LEU  N   unknown type.  rad set to 1.9, chg 0
  960 LEU   H  unknown type.  rad set to 1.9, chg 0
  966 LEU  C   unknown type.  rad set to 1.9, chg 0
  967 LEU  O   unknown type.  rad set to 1.9, chg 0
  968 VAL  N   unknown type.  rad set to 1.9, chg 0
  969 VAL   H  unknown type.  rad set to 1.9, chg 0
  974 VAL  C   unknown type.  rad set to 1.9, chg 0
  975 VAL  O   unknown type.  rad set to 1.9, chg 0
  976 VAL  N   unknown type.  rad set to 1.9, chg 0
  977 VAL   H  unknown type.  rad set to 1.9, chg 0
  982 VAL  C   unknown type.  rad set to 1.9, chg 0
  983 VAL  O   unknown type.  rad set to 1.9, chg 0
  984 ALA  N   unknown type.  rad set to 1.9, chg 0
  985 ALA   H  unknown type.  rad set to 1.9, chg 0
  988 ALA  C   unknown type.  rad set to 1.9, chg 0
  989 ALA  O   unknown type.  rad set to 1.9, chg 0
  990 GLY  N   unknown type.  rad set to 1.9, chg 0
  991 GLY   H  unknown type.  rad set to 1.9, chg 0
  993 GLY  C   unknown type.  rad set to 1.9, chg 0
  994 GLY  O   unknown type.  rad set to 1.9, chg 0
  995 ARG  N   unknown type.  rad set to 1.9, chg 0
  996 ARG   H  unknown type.  rad set to 1.9, chg 0
 1002 ARG   HE unknown type.  rad set to 1.9, chg 0
 1005 ARG  1HH1unknown type.  rad set to 1.9, chg 0
 1006 ARG  2HH1unknown type.  rad set to 1.9, chg 0
 1008 ARG  1HH2unknown type.  rad set to 1.9, chg 0
 1009 ARG  2HH2unknown type.  rad set to 1.9, chg 0
 1010 ARG  C   unknown type.  rad set to 1.9, chg 0
 1011 ARG  O   unknown type.  rad set to 1.9, chg 0
 1012 THR  N   unknown type.  rad set to 1.9, chg 0
 1013 THR   H  unknown type.  rad set to 1.9, chg 0
 1017 THR   HG1unknown type.  rad set to 1.9, chg 0
 1019 THR  C   unknown type.  rad set to 1.9, chg 0
 1020 THR  O   unknown type.  rad set to 1.9, chg 0
 1021 CYS  N   unknown type.  rad set to 1.9, chg 0
 1022 CYS   H  unknown type.  rad set to 1.9, chg 0
 1026 CYS  C   unknown type.  rad set to 1.9, chg 0
 1027 CYS  O   unknown type.  rad set to 1.9, chg 0
 1028 TYR  N   unknown type.  rad set to 1.9, chg 0
 1029 TYR   H  unknown type.  rad set to 1.9, chg 0
 1034 TYR   HD1unknown type.  rad set to 1.9, chg 0
 1036 TYR   HD2unknown type.  rad set to 1.9, chg 0
 1038 TYR   HE1unknown type.  rad set to 1.9, chg 0
 1040 TYR   HE2unknown type.  rad set to 1.9, chg 0
 1043 TYR   HH unknown type.  rad set to 1.9, chg 0
 1044 TYR  C   unknown type.  rad set to 1.9, chg 0
 1045 TYR  O   unknown type.  rad set to 1.9, chg 0
 1046 GLY  N   unknown type.  rad set to 1.9, chg 0
 1047 GLY   H  unknown type.  rad set to 1.9, chg 0
 1049 GLY  C   unknown type.  rad set to 1.9, chg 0
 1050 GLY  O   unknown type.  rad set to 1.9, chg 0
 1051 PRO  N   unknown type.  rad set to 1.9, chg 0
 1056 PRO  C   unknown type.  rad set to 1.9, chg 0
 1057 PRO  O   unknown type.  rad set to 1.9, chg 0
 1058 ASN  N   unknown type.  rad set to 1.9, chg 0
 1059 ASN   H  unknown type.  rad set to 1.9, chg 0
 1065 ASN  1HD2unknown type.  rad set to 1.9, chg 0
 1066 ASN  2HD2unknown type.  rad set to 1.9, chg 0
 1067 ASN  C   unknown type.  rad set to 1.9, chg 0
 1068 ASN  O   unknown type.  rad set to 1.9, chg 0
 1069 TYR  N   unknown type.  rad set to 1.9, chg 0
 1070 TYR   H  unknown type.  rad set to 1.9, chg 0
 1075 TYR   HD1unknown type.  rad set to 1.9, chg 0
 1077 TYR   HD2unknown type.  rad set to 1.9, chg 0
 1079 TYR   HE1unknown type.  rad set to 1.9, chg 0
 1081 TYR   HE2unknown type.  rad set to 1.9, chg 0
 1084 TYR   HH unknown type.  rad set to 1.9, chg 0
 1085 TYR  C   unknown type.  rad set to 1.9, chg 0
 1086 TYR  O   unknown type.  rad set to 1.9, chg 0
 1087 TRP  N   unknown type.  rad set to 1.9, chg 0
 1088 TRP   H  unknown type.  rad set to 1.9, chg 0
 1093 TRP   HD1unknown type.  rad set to 1.9, chg 0
 1096 TRP   HE1unknown type.  rad set to 1.9, chg 0
 1099 TRP   HE3unknown type.  rad set to 1.9, chg 0
 1101 TRP   HZ2unknown type.  rad set to 1.9, chg 0
 1103 TRP   HZ3unknown type.  rad set to 1.9, chg 0
 1105 TRP   HH2unknown type.  rad set to 1.9, chg 0
 1106 TRP  C   unknown type.  rad set to 1.9, chg 0
 1107 TRP  O   unknown type.  rad set to 1.9, chg 0
 1108 GLY  N   unknown type.  rad set to 1.9, chg 0
 1109 GLY   H  unknown type.  rad set to 1.9, chg 0
 1111 GLY  C   unknown type.  rad set to 1.9, chg 0
 1112 GLY  O   unknown type.  rad set to 1.9, chg 0
 1113 GLN  N   unknown type.  rad set to 1.9, chg 0
 1114 GLN   H  unknown type.  rad set to 1.9, chg 0
 1121 GLN  1HE2unknown type.  rad set to 1.9, chg 0
 1122 GLN  2HE2unknown type.  rad set to 1.9, chg 0
 1123 GLN  C   unknown type.  rad set to 1.9, chg 0
 1124 GLN  O   unknown type.  rad set to 1.9, chg 0
 1125 GLY  N   unknown type.  rad set to 1.9, chg 0
 1126 GLY   H  unknown type.  rad set to 1.9, chg 0
 1128 GLY  C   unknown type.  rad set to 1.9, chg 0
 1129 GLY  O   unknown type.  rad set to 1.9, chg 0
 1130 THR  N   unknown type.  rad set to 1.9, chg 0
 1131 THR   H  unknown type.  rad set to 1.9, chg 0
 1135 THR   HG1unknown type.  rad set to 1.9, chg 0
 1137 THR  C   unknown type.  rad set to 1.9, chg 0
 1138 THR  O   unknown type.  rad set to 1.9, chg 0
 1139 GLN  N   unknown type.  rad set to 1.9, chg 0
 1140 GLN   H  unknown type.  rad set to 1.9, chg 0
 1147 GLN  1HE2unknown type.  rad set to 1.9, chg 0
 1148 GLN  2HE2unknown type.  rad set to 1.9, chg 0
 1149 GLN  C   unknown type.  rad set to 1.9, chg 0
 1150 GLN  O   unknown type.  rad set to 1.9, chg 0
 1151 VAL  N   unknown type.  rad set to 1.9, chg 0
 1152 VAL   H  unknown type.  rad set to 1.9, chg 0
 1157 VAL  C   unknown type.  rad set to 1.9, chg 0
 1158 VAL  O   unknown type.  rad set to 1.9, chg 0
 1159 THR  N   unknown type.  rad set to 1.9, chg 0
 1160 THR   H  unknown type.  rad set to 1.9, chg 0
 1164 THR   HG1unknown type.  rad set to 1.9, chg 0
 1166 THR  C   unknown type.  rad set to 1.9, chg 0
 1167 THR  O   unknown type.  rad set to 1.9, chg 0
 1168 VAL  N   unknown type.  rad set to 1.9, chg 0
 1169 VAL   H  unknown type.  rad set to 1.9, chg 0
 1174 VAL  C   unknown type.  rad set to 1.9, chg 0
 1175 VAL   O1 unknown type.  rad set to 1.9, chg 0
 1176 VAL   O2 unknown type.  rad set to 1.9, chg 0

pdb1=open("ami_m.pdb","r")
pdb2=open("ami_n.pdb","w")
for line in pdb1:
    
    if line[0:5]!="MODEL":
        if line[0:3]!="TER":
            pdb2.write(line)
pdb1.close()
pdb2.close()
     

pdb1=open("cam_m.pdb","r")
pdb2=open("cam_n.pdb","w")
for line in pdb1:
    
    if line[0:5]!="MODEL":
        if line[0:3]!="TER":
            pdb2.write(line)
pdb1.close()
pdb2.close()

%%bash
export LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:/home/preps/golovin/progs/lib
export PATH=${PATH}:/home/preps/golovin/progs/bin
zdock

Usage: zdock [options] -R [receptor.pdb] -L [ligand.pdb]
Standard PDB format files must be processed by mark_sur to add atom radius, charge and atom type. If you know that some atoms are not in the binding site, you can block them by changing their atom type (column 55-56) to 19.
  Available options:
   -o filename     : set the output filename (default to zdock.out)
   -N int          : set the number of output predictions, (default to 2000)
   -S int          : set the seed for the randomization of the starting PDBs (default to no randomization)
   -D              : set rotational sampling to be dense, used only if zdock output will be further processed by more detailed binding energy calculations (default to none)
   -F              : fix the receptor, preventing its rotation and switching with ligand during execution.

%%bash
export LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:/home/preps/golovin/progs/lib
export PATH=${PATH}:/home/preps/golovin/progs/bin
zdock -R ami_n.pdb -L cam_n.pdb

ZDOCK has successfully completed and zdock.out has been created.

%%bash
export LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:/home/preps/golovin/progs/lib
export PATH=${PATH}:/home/preps/golovin/progs/bin
zrank zdock.out.cp 1 50

%%bash
sort -n -k2 zdock.out.cp.zr.out | head

6	-8.39476
20	-3.22586
10	0
12	0
16	0
18	0
21	0
22	0
27	0
30	0